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

C23H19N9O2 — CID 163261966

IUPACN-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-4-yl]-2-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)c2)cn1
InChIInChI=1S/C23H19N9O2/c1-30-12-18(10-26-30)16-6-20(23-17(7-24)9-27-32(23)13-16)31-14-19(11-28-31)29-21(33)5-15-3-4-22(34-2)25-8-15/h3-4,6,8-14H,5H2,1-2H3,(H,29,33)
InChIKeyXTROXGRPJRQZBI-UHFFFAOYSA-N
MW453.47 g/mol
LogP2.38
Rot. Bonds6

About 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

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 (PubChem CID 163261966) has the molecular formula C23H19N9O2 and a molecular weight of 453.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-4-yl]-2-(6-methoxy-3-pyridinyl)acetamide
PubChem CID163261966
Molecular FormulaC23H19N9O2
Molecular Weight453.47 g/mol
Exact Mass453.17
IUPAC NameN-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-4-yl]-2-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)c2)cn1
InChIInChI=1S/C23H19N9O2/c1-30-12-18(10-26-30)16-6-20(23-17(7-24)9-27-32(23)13-16)31-14-19(11-28-31)29-21(33)5-15-3-4-22(34-2)25-8-15/h3-4,6,8-14H,5H2,1-2H3,(H,29,33)
InChIKeyXTROXGRPJRQZBI-UHFFFAOYSA-N
XLogP2.38
TPSA127.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide
CID 175729283
(1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide
CID 175982269
3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide
CID 172705905
N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide
CID 155388144
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
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
methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 162752778
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
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257
methyl 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-methylpyrazole-5-carboxylate
CID 162752716
N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide
CID 171521006
6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740147

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CC(=O)Nc2cnn(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)c2)cn1.
What is the InChIKey of 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?
The InChIKey is XTROXGRPJRQZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N9O2/c1-30-12-18(10-26-30)16-6-20(23-17(7-24)9-27-32(23)13-16)31-14-19(11-28-31)29-21(33)5-15-3-4-22(34-2)25-8-15/h3-4,6,8-14H,5H2,1-2H3,(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 453.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163261966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).