N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide

C32H33N9O — CID 126740076

IUPACN-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
SMILESCCCCN(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1ccccc1
InChIInChI=1S/C32H33N9O/c1-3-4-12-40(28-8-6-5-7-9-28)32(42)39-15-13-38(14-16-39)30-11-10-24(19-34-30)29-17-25(27-21-35-37(2)22-27)23-41-31(29)26(18-33)20-36-41/h5-11,17,19-23H,3-4,12-16H2,1-2H3
InChIKeyRKFVNWFFHCYXMW-UHFFFAOYSA-N
MW559.68 g/mol
LogP5.22
Rot. Bonds7

About N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide

N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 126740076) has the molecular formula C32H33N9O and a molecular weight of 559.68 g/mol. Its IUPAC name is N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
PubChem CID126740076
Molecular FormulaC32H33N9O
Molecular Weight559.68 g/mol
Exact Mass559.28
IUPAC NameN-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
SMILESCCCCN(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1ccccc1
InChIInChI=1S/C32H33N9O/c1-3-4-12-40(28-8-6-5-7-9-28)32(42)39-15-13-38(14-16-39)30-11-10-24(19-34-30)29-17-25(27-21-35-37(2)22-27)23-41-31(29)26(18-33)20-36-41/h5-11,17,19-23H,3-4,12-16H2,1-2H3
InChIKeyRKFVNWFFHCYXMW-UHFFFAOYSA-N
XLogP5.22
TPSA98.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.68
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide with MolForge

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Related Compounds

4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
4-[6-[4-[(3R)-3-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740388
4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740279
4-[6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 135150193
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde
CID 157078083
4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155776171
6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-1-enylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175933963
4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 126740404
4-[6-[4-(3-fluoropyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740138
4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126752966

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide (CID 126740076) is N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide is CCCCN(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1ccccc1.
What is the InChIKey of N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is RKFVNWFFHCYXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N9O/c1-3-4-12-40(28-8-6-5-7-9-28)32(42)39-15-13-38(14-16-39)30-11-10-24(19-34-30)29-17-25(27-21-35-37(2)22-27)23-41-31(29)26(18-33)20-36-41/h5-11,17,19-23H,3-4,12-16H2,1-2H3.
What are the key properties of N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide?
N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 559.68 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 126740076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).