3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide

C25H24N6O2 — CID 144630321

IUPAC3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(N)C(=O)NC1=CCC(c2cnn3ccc(C(=O)N(C)c4ccc(C#N)cc4)cc23)C=C1
InChIInChI=1S/C25H24N6O2/c1-16(27)24(32)29-20-7-5-18(6-8-20)22-15-28-31-12-11-19(13-23(22)31)25(33)30(2)21-9-3-17(14-26)4-10-21/h3-5,7-13,15-16,18H,6,27H2,1-2H3,(H,29,32)
InChIKeyRGEQIGCTEORLOE-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.87
Rot. Bonds5

About 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide

3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 144630321) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID144630321
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(N)C(=O)NC1=CCC(c2cnn3ccc(C(=O)N(C)c4ccc(C#N)cc4)cc23)C=C1
InChIInChI=1S/C25H24N6O2/c1-16(27)24(32)29-20-7-5-18(6-8-20)22-15-28-31-12-11-19(13-23(22)31)25(33)30(2)21-9-3-17(14-26)4-10-21/h3-5,7-13,15-16,18H,6,27H2,1-2H3,(H,29,32)
InChIKeyRGEQIGCTEORLOE-UHFFFAOYSA-N
XLogP2.87
TPSA116.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(aminomethyl)-2-pyridinyl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 151947984
5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide
CID 163720257
N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312
3-(6-carbamoyl-3-pyridinyl)-N-(4-cyanophenyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 90157223
tert-butyl N-(N-(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-4-cyanoanilino)-N-methylcarbamate
CID 90175920
6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
CID 66463352
3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 90157076
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 113290784
N-(4-cyanophenyl)-N-methylpyrazine-2-carboxamide
CID 113242357
N-(4-cyanophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62970236
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide (CID 144630321) is 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide is CC(N)C(=O)NC1=CCC(c2cnn3ccc(C(=O)N(C)c4ccc(C#N)cc4)cc23)C=C1.
What is the InChIKey of 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is RGEQIGCTEORLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16(27)24(32)29-20-7-5-18(6-8-20)22-15-28-31-12-11-19(13-23(22)31)25(33)30(2)21-9-3-17(14-26)4-10-21/h3-5,7-13,15-16,18H,6,27H2,1-2H3,(H,29,32).
What are the key properties of 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 144630321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).