2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide

C27H26N5OP — CID 131970529

IUPAC2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide
SMILESN#Cc1ccc(-c2ccn3ncc(-c4ccc(NC(=O)C(N)P5CCCCC5)cc4)c3c2)cc1
InChIInChI=1S/C27H26N5OP/c28-17-19-4-6-20(7-5-19)22-12-13-32-25(16-22)24(18-30-32)21-8-10-23(11-9-21)31-27(33)26(29)34-14-2-1-3-15-34/h4-13,16,18,26H,1-3,14-15,29H2,(H,31,33)
InChIKeyVNBWQERTNBRDRD-UHFFFAOYSA-N
MW467.51 g/mol
LogP5.43
Rot. Bonds5

About 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide

2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide (PubChem CID 131970529) has the molecular formula C27H26N5OP and a molecular weight of 467.51 g/mol. Its IUPAC name is 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide
PubChem CID131970529
Molecular FormulaC27H26N5OP
Molecular Weight467.51 g/mol
Exact Mass467.19
IUPAC Name2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide
SMILESN#Cc1ccc(-c2ccn3ncc(-c4ccc(NC(=O)C(N)P5CCCCC5)cc4)c3c2)cc1
InChIInChI=1S/C27H26N5OP/c28-17-19-4-6-20(7-5-19)22-12-13-32-25(16-22)24(18-30-32)21-8-10-23(11-9-21)31-27(33)26(29)34-14-2-1-3-15-34/h4-13,16,18,26H,1-3,14-15,29H2,(H,31,33)
InChIKeyVNBWQERTNBRDRD-UHFFFAOYSA-N
XLogP5.43
TPSA96.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.51
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[4-[5-[(4-isocyano-N-methylanilino)methyl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]propanamide
CID 123509622
3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
CID 150564267
3-(6-carbamoyl-3-pyridinyl)-N-(4-cyanophenyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 90157223
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454380
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid
CID 164617874
3-[5-(aminomethyl)-2-pyridinyl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 151947984
3-amino-4-(4-cyanoanilino)-4-oxobutanoic acid
CID 14479137
methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate
CID 137440860

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide?
The IUPAC name of 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide (CID 131970529) is 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide.
What is the SMILES notation for 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide?
The canonical SMILES for 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide is N#Cc1ccc(-c2ccn3ncc(-c4ccc(NC(=O)C(N)P5CCCCC5)cc4)c3c2)cc1.
What is the InChIKey of 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide?
The InChIKey is VNBWQERTNBRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N5OP/c28-17-19-4-6-20(7-5-19)22-12-13-32-25(16-22)24(18-30-32)21-8-10-23(11-9-21)31-27(33)26(29)34-14-2-1-3-15-34/h4-13,16,18,26H,1-3,14-15,29H2,(H,31,33).
What are the key properties of 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide?
2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide has a molecular weight of 467.51 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[5-(4-cyanophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-2-(phosphinan-1-yl)acetamide is sourced from PubChem (CID 131970529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).