3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide

C27H23N9O2 — CID 150564267

IUPAC3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(Cn1cccn1)N(C(=O)c1ccn2ncc(-c3ccc(NC(N)=O)cc3)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C27H23N9O2/c1-18(17-34-11-2-10-31-34)36(25-8-3-19(14-28)15-30-25)26(37)21-9-12-35-24(13-21)23(16-32-35)20-4-6-22(7-5-20)33-27(29)38/h2-13,15-16,18H,17H2,1H3,(H3,29,33,38)
InChIKeyIKMVIRICRWBZEX-UHFFFAOYSA-N
MW505.54 g/mol
LogP3.69
Rot. Bonds7

About 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide

3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 150564267) has the molecular formula C27H23N9O2 and a molecular weight of 505.54 g/mol. Its IUPAC name is 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID150564267
Molecular FormulaC27H23N9O2
Molecular Weight505.54 g/mol
Exact Mass505.20
IUPAC Name3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(Cn1cccn1)N(C(=O)c1ccn2ncc(-c3ccc(NC(N)=O)cc3)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C27H23N9O2/c1-18(17-34-11-2-10-31-34)36(25-8-3-19(14-28)15-30-25)26(37)21-9-12-35-24(13-21)23(16-32-35)20-4-6-22(7-5-20)33-27(29)38/h2-13,15-16,18H,17H2,1H3,(H3,29,33,38)
InChIKeyIKMVIRICRWBZEX-UHFFFAOYSA-N
XLogP3.69
TPSA147.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 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) is 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide is CC(Cn1cccn1)N(C(=O)c1ccn2ncc(-c3ccc(NC(N)=O)cc3)c2c1)c1ccc(C#N)cn1.
What is the InChIKey of 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is IKMVIRICRWBZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O2/c1-18(17-34-11-2-10-31-34)36(25-8-3-19(14-28)15-30-25)26(37)21-9-12-35-24(13-21)23(16-32-35)20-4-6-22(7-5-20)33-27(29)38/h2-13,15-16,18H,17H2,1H3,(H3,29,33,38).
What are the key properties of 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 505.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(carbamoylamino)phenyl]-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 150564267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).