[(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone

C19H20N8O — CID 170387423

IUPAC[(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCCc1cccc2cc([C@@H]3c4nc[nH]c4CCN3C(=O)c3ncnn3C)nn12
InChIInChI=1S/C19H20N8O/c1-3-12-5-4-6-13-9-15(24-27(12)13)17-16-14(20-10-21-16)7-8-26(17)19(28)18-22-11-23-25(18)2/h4-6,9-11,17H,3,7-8H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyXOQNBIHYCBLRFP-QGZVFWFLSA-N
MW376.42 g/mol
LogP1.54
Rot. Bonds3

About [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone

[(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 170387423) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID170387423
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name[(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCCc1cccc2cc([C@@H]3c4nc[nH]c4CCN3C(=O)c3ncnn3C)nn12
InChIInChI=1S/C19H20N8O/c1-3-12-5-4-6-13-9-15(24-27(12)13)17-16-14(20-10-21-16)7-8-26(17)19(28)18-22-11-23-25(18)2/h4-6,9-11,17H,3,7-8H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyXOQNBIHYCBLRFP-QGZVFWFLSA-N
XLogP1.54
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone with MolForge

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Related Compounds

[(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 170388656
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332965
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333481
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165388
(4-methyl-1,3-oxazol-5-yl)-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332547
[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]-[(4S)-4-[7-(1-fluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170388962
[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 170333548
(2-ethylpyrazol-3-yl)-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170384831
[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332518
[(4R)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 169166392
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166263
(3-amino-1-methylpyrazol-5-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333809

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone (CID 170387423) is [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone is CCc1cccc2cc([C@@H]3c4nc[nH]c4CCN3C(=O)c3ncnn3C)nn12.
What is the InChIKey of [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is XOQNBIHYCBLRFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N8O/c1-3-12-5-4-6-13-9-15(24-27(12)13)17-16-14(20-10-21-16)7-8-26(17)19(28)18-22-11-23-25(18)2/h4-6,9-11,17H,3,7-8H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone?
[(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 376.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 170387423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).