N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide

C25H25N7O3S — CID 163261990

IUPACN-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCn1cc(-c2cc(N3CC[C@@H](NC(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C25H25N7O3S/c1-30-14-20(13-27-30)18-10-23(25-19(11-26)12-28-32(25)15-18)31-8-7-21(16-31)29-24(33)9-17-3-5-22(6-4-17)36(2,34)35/h3-6,10,12-15,21H,7-9,16H2,1-2H3,(H,29,33)/t21-/m1/s1
InChIKeyPBQVEMUDGZAQQW-OAQYLSRUSA-N
MW503.59 g/mol
LogP1.95
Rot. Bonds6

About N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide

N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 163261990) has the molecular formula C25H25N7O3S and a molecular weight of 503.59 g/mol. Its IUPAC name is N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID163261990
Molecular FormulaC25H25N7O3S
Molecular Weight503.59 g/mol
Exact Mass503.17
IUPAC NameN-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCn1cc(-c2cc(N3CC[C@@H](NC(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C25H25N7O3S/c1-30-14-20(13-27-30)18-10-23(25-19(11-26)12-28-32(25)15-18)31-8-7-21(16-31)29-24(33)9-17-3-5-22(6-4-17)36(2,34)35/h3-6,10,12-15,21H,7-9,16H2,1-2H3,(H,29,33)/t21-/m1/s1
InChIKeyPBQVEMUDGZAQQW-OAQYLSRUSA-N
XLogP1.95
TPSA125.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.59
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide
CID 167038856
tert-butyl 4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-methylpiperazine-1-carboxylate
CID 175714263
1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 162752722
4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 175708993
3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide
CID 162752804
3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid
CID 175708996
N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-4-yl]-2-(6-methoxy-3-pyridinyl)acetamide
CID 163261966
4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660352
N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide
CID 146661140
5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid
CID 162752793
N-[4-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-1-yl]methyl]phenyl]prop-2-enamide
CID 171521032
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide (CID 163261990) is N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide is Cn1cc(-c2cc(N3CC[C@@H](NC(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is PBQVEMUDGZAQQW-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25N7O3S/c1-30-14-20(13-27-30)18-10-23(25-19(11-26)12-28-32(25)15-18)31-8-7-21(16-31)29-24(33)9-17-3-5-22(6-4-17)36(2,34)35/h3-6,10,12-15,21H,7-9,16H2,1-2H3,(H,29,33)/t21-/m1/s1.
What are the key properties of N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 503.59 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 163261990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).