6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C21H23N9O — CID 164920703

IUPAC6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2nnn(C3CN(C4CCN(C#N)CC4)C3)c2C)cn2ncc(C#N)c12
InChIInChI=1S/C21H23N9O/c1-14-20(15-7-19(31-2)21-16(8-22)9-24-29(21)10-15)25-26-30(14)18-11-28(12-18)17-3-5-27(13-23)6-4-17/h7,9-10,17-18H,3-6,11-12H2,1-2H3
InChIKeyTWAPZTYXJZSUOW-UHFFFAOYSA-N
MW417.48 g/mol
LogP1.58
Rot. Bonds4

About 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920703) has the molecular formula C21H23N9O and a molecular weight of 417.48 g/mol. Its IUPAC name is 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164920703
Molecular FormulaC21H23N9O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2nnn(C3CN(C4CCN(C#N)CC4)C3)c2C)cn2ncc(C#N)c12
InChIInChI=1S/C21H23N9O/c1-14-20(15-7-19(31-2)21-16(8-22)9-24-29(21)10-15)25-26-30(14)18-11-28(12-18)17-3-5-27(13-23)6-4-17/h7,9-10,17-18H,3-6,11-12H2,1-2H3
InChIKeyTWAPZTYXJZSUOW-UHFFFAOYSA-N
XLogP1.58
TPSA111.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920806
6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921413
6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920951
4-methoxy-6-[5-methyl-1-[1-[(3R)-1-methylpyrrolidin-3-yl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921421
6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921193
4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267546
3-fluoro-4-methoxy-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine
CID 169267317
4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
CID 177310905
6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920642
4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171074750
6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267686
4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267606

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920703) is 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(-c2nnn(C3CN(C4CCN(C#N)CC4)C3)c2C)cn2ncc(C#N)c12.
What is the InChIKey of 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is TWAPZTYXJZSUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O/c1-14-20(15-7-19(31-2)21-16(8-22)9-24-29(21)10-15)25-26-30(14)18-11-28(12-18)17-3-5-27(13-23)6-4-17/h7,9-10,17-18H,3-6,11-12H2,1-2H3.
What are the key properties of 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 417.48 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).