(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide

C32H33N7O2 — CID 164515101

IUPAC(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
SMILESC[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(CC(=O)N3CCCC3)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C32H33N7O2/c1-23(25-11-9-24(17-33)10-12-25)18-35-31(26-7-3-2-4-8-26)32(41)37-29-14-13-27(19-34-29)28-20-36-39(21-28)22-30(40)38-15-5-6-16-38/h2-4,7-14,19-21,23,31,35H,5-6,15-16,18,22H2,1H3,(H,34,37,41)/t23-,31+/m0/s1
InChIKeyOHGJQTVLKQXBIW-GTYOFVGBSA-N
MW547.66 g/mol
LogP4.51
Rot. Bonds10

About (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide

(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 164515101) has the molecular formula C32H33N7O2 and a molecular weight of 547.66 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID164515101
Molecular FormulaC32H33N7O2
Molecular Weight547.66 g/mol
Exact Mass547.27
IUPAC Name(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
SMILESC[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(CC(=O)N3CCCC3)c2)cn1)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C32H33N7O2/c1-23(25-11-9-24(17-33)10-12-25)18-35-31(26-7-3-2-4-8-26)32(41)37-29-14-13-27(19-34-29)28-20-36-39(21-28)22-30(40)38-15-5-6-16-38/h2-4,7-14,19-21,23,31,35H,5-6,15-16,18,22H2,1H3,(H,34,37,41)/t23-,31+/m0/s1
InChIKeyOHGJQTVLKQXBIW-GTYOFVGBSA-N
XLogP4.51
TPSA115.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.66
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (CID 164515101) is (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(CC(=O)N3CCCC3)c2)cn1)c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is OHGJQTVLKQXBIW-GTYOFVGBSA-N. The full InChI is InChI=1S/C32H33N7O2/c1-23(25-11-9-24(17-33)10-12-25)18-35-31(26-7-3-2-4-8-26)32(41)37-29-14-13-27(19-34-29)28-20-36-39(21-28)22-30(40)38-15-5-6-16-38/h2-4,7-14,19-21,23,31,35H,5-6,15-16,18,22H2,1H3,(H,34,37,41)/t23-,31+/m0/s1.
What are the key properties of (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 547.66 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 164515101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).