(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide

C221H254F3N35O8 — CID 159443131

IUPAC(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1
InChIInChI=1S/5C28H34N4O.3C27H28FN5O/c5*1-20-9-11-23(12-10-20)22(3)17-30-27(24-7-5-4-6-8-24)28(33)31-26-14-13-25(18-29-26)32-16-15-21(2)19-32;3*1-18-9-10-21(13-24(18)28)19(2)14-30-26(20-7-5-4-6-8-20)27(34)32-25-12-11-22(15-29-25)23-16-31-33(3)17-23/h5*4-14,18,21-22,27,30H,15-17,19H2,1-3H3,(H,29,31,33);3*4-13,15-17,19,26,30H,14H2,1-3H3,(H,29,32,34)/t2*21-,22+,27+;21-,22+,27-;21-,22-,27+;21-,22-,27-;2*19-,26+;19-,26-/m10111100/s1
InChIKeyLSKPLLCMXBDIFF-HMKWYICPSA-N
MW3585.69 g/mol
LogP41.55
Rot. Bonds64

About (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide

(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 159443131) has the molecular formula C221H254F3N35O8 and a molecular weight of 3585.69 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID159443131
Molecular FormulaC221H254F3N35O8
Molecular Weight3585.69 g/mol
Exact Mass3583.05
IUPAC Name(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1
InChIInChI=1S/5C28H34N4O.3C27H28FN5O/c5*1-20-9-11-23(12-10-20)22(3)17-30-27(24-7-5-4-6-8-24)28(33)31-26-14-13-25(18-29-26)32-16-15-21(2)19-32;3*1-18-9-10-21(13-24(18)28)19(2)14-30-26(20-7-5-4-6-8-20)27(34)32-25-12-11-22(15-29-25)23-16-31-33(3)17-23/h5*4-14,18,21-22,27,30H,15-17,19H2,1-3H3,(H,29,31,33);3*4-13,15-17,19,26,30H,14H2,1-3H3,(H,29,32,34)/t2*21-,22+,27+;21-,22+,27-;21-,22-,27+;21-,22-,27-;2*19-,26+;19-,26-/m10111100/s1
InChIKeyLSKPLLCMXBDIFF-HMKWYICPSA-N
XLogP41.55
TPSA501.82 Ų
H-Bond Donors16
H-Bond Acceptors35
Rotatable Bonds64
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003585.69
LogP ≤ 541.55
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1035

Analyze (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide (CID 159443131) is (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide is Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is LSKPLLCMXBDIFF-HMKWYICPSA-N. The full InChI is InChI=1S/5C28H34N4O.3C27H28FN5O/c5*1-20-9-11-23(12-10-20)22(3)17-30-27(24-7-5-4-6-8-24)28(33)31-26-14-13-25(18-29-26)32-16-15-21(2)19-32;3*1-18-9-10-21(13-24(18)28)19(2)14-30-26(20-7-5-4-6-8-20)27(34)32-25-12-11-22(15-29-25)23-16-31-33(3)17-23/h5*4-14,18,21-22,27,30H,15-17,19H2,1-3H3,(H,29,31,33);3*4-13,15-17,19,26,30H,14H2,1-3H3,(H,29,32,34)/t2*21-,22+,27+;21-,22+,27-;21-,22-,27+;21-,22-,27-;2*19-,26+;19-,26-/m10111100/s1.
What are the key properties of (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide?
(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 3585.69 g/mol, XLogP of 41.55, 64 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3S)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 159443131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).