3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide

C22H21N5O2 — CID 177295994

IUPAC3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
SMILESCOc1cc(-c2cc3n(n2)CCC[C@H]3NC(=O)c2cccc(C#N)c2)c(C)cn1
InChIInChI=1S/C22H21N5O2/c1-14-13-24-21(29-2)10-17(14)19-11-20-18(7-4-8-27(20)26-19)25-22(28)16-6-3-5-15(9-16)12-23/h3,5-6,9-11,13,18H,4,7-8H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyGWQPVWDJBSBVPO-GOSISDBHSA-N
MW387.44 g/mol
LogP3.40
Rot. Bonds4

About 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide

3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide (PubChem CID 177295994) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
PubChem CID177295994
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
SMILESCOc1cc(-c2cc3n(n2)CCC[C@H]3NC(=O)c2cccc(C#N)c2)c(C)cn1
InChIInChI=1S/C22H21N5O2/c1-14-13-24-21(29-2)10-17(14)19-11-20-18(7-4-8-27(20)26-19)25-22(28)16-6-3-5-15(9-16)12-23/h3,5-6,9-11,13,18H,4,7-8H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyGWQPVWDJBSBVPO-GOSISDBHSA-N
XLogP3.40
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-[(4S)-2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177051330
3-cyano-N-[2-[2-(1,1-difluoroethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177051552
3-cyano-4-fluoro-N-[(4S)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177050054
3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide
CID 177051419
3-fluoro-N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)benzamide
CID 177295959
3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113239507
N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 177296047
3-cyano-5-fluoro-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177051690
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
3-cyano-4-fluoro-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177050632
5-cyano-2-fluoro-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177050524
3-fluoro-5-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177050677

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide (CID 177295994) is 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide is COc1cc(-c2cc3n(n2)CCC[C@H]3NC(=O)c2cccc(C#N)c2)c(C)cn1.
What is the InChIKey of 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide?
The InChIKey is GWQPVWDJBSBVPO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-13-24-21(29-2)10-17(14)19-11-20-18(7-4-8-27(20)26-19)25-22(28)16-6-3-5-15(9-16)12-23/h3,5-6,9-11,13,18H,4,7-8H2,1-2H3,(H,25,28)/t18-/m1/s1.
What are the key properties of 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide?
3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide is sourced from PubChem (CID 177295994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).