(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide

C112H124N20O4 — CID 157136099

IUPAC(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide
SMILESCc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1
InChIInChI=1S/4C28H31N5O/c4*1-19-10-12-22(13-11-19)20(2)16-29-27(23-8-6-5-7-9-23)28(34)32-26-15-14-25(21(3)31-26)24-17-30-33(4)18-24/h4*5-15,17-18,20,27,29H,16H2,1-4H3,(H,31,32,34)/t2*20-,27+;2*20-,27-/m1010/s1
InChIKeyAJQGQVMOKLVVHR-FZZLYCQKSA-N
MW1814.36 g/mol
LogP20.69
Rot. Bonds32

About (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide

(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide (PubChem CID 157136099) has the molecular formula C112H124N20O4 and a molecular weight of 1814.36 g/mol. Its IUPAC name is (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide
PubChem CID157136099
Molecular FormulaC112H124N20O4
Molecular Weight1814.36 g/mol
Exact Mass1813.01
IUPAC Name(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide
SMILESCc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1
InChIInChI=1S/4C28H31N5O/c4*1-19-10-12-22(13-11-19)20(2)16-29-27(23-8-6-5-7-9-23)28(34)32-26-15-14-25(21(3)31-26)24-17-30-33(4)18-24/h4*5-15,17-18,20,27,29H,16H2,1-4H3,(H,31,32,34)/t2*20-,27+;2*20-,27-/m1010/s1
InChIKeyAJQGQVMOKLVVHR-FZZLYCQKSA-N
XLogP20.69
TPSA287.36 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001814.36
LogP ≤ 520.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-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

Related Compounds

US11168090, Example 69
CID 135241899
US11274090, Example 141 Isomer 1
CID 139425941
US11274090, Example 143 Isomer 4
CID 139426074
US11274090, Example 143 Isomer 2
CID 156293454
US11274090, Example 132 Isomer 1
CID 164515101
US11274090, Example 132 Isomer 2
CID 164515102
2-[4-[6-[6-[6-[[2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]acetyl]amino]-3-pyridinyl]-2-pyridinyl]pyridazin-4-yl]phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
CID 90913161
bis[(1S)-1-[5-[4-[2-fluoro-4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268232
4-[4-[[3-[[2-[1-fluoro-4-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamoyl]cyclohexyl]-1,4-dimethyl-2H-pyridin-6-yl]amino]-5-methylpyrazol-1-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 129125736
1-N-[[4-[5-[1-[6-[(4-tert-butylbenzoyl)amino]-3-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-pyridinyl]cyclohexyl]methyl]-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 143484182
4-[4-[[5-[[6-[1-fluoro-4-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamoyl]cyclohexyl]-4-methyl-2-pyridinyl]amino]-3-methyl-1,5-dihydropyrazol-2-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 145307270
N-[(1S)-1-[(1R)-7-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-(1,4-dimethylpyrazol-5-yl)anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
CID 155690901

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide (CID 157136099) is (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide is Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide?
The InChIKey is AJQGQVMOKLVVHR-FZZLYCQKSA-N. The full InChI is InChI=1S/4C28H31N5O/c4*1-19-10-12-22(13-11-19)20(2)16-29-27(23-8-6-5-7-9-23)28(34)32-26-15-14-25(21(3)31-26)24-17-30-33(4)18-24/h4*5-15,17-18,20,27,29H,16H2,1-4H3,(H,31,32,34)/t2*20-,27+;2*20-,27-/m1010/s1.
What are the key properties of (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide?
(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide has a molecular weight of 1814.36 g/mol, XLogP of 20.69, 32 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 157136099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).