[2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C20H20FN7O — CID 170387294

IUPAC[2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1ccc2cc([C@@H]3c4nc[nH]c4CCN3C(=O)c3ccnn3C(C)F)nn2c1
InChIInChI=1S/C20H20FN7O/c1-12-3-4-14-9-16(25-27(14)10-12)19-18-15(22-11-23-18)6-8-26(19)20(29)17-5-7-24-28(17)13(2)21/h3-5,7,9-11,13,19H,6,8H2,1-2H3,(H,22,23)/t13?,19-/m1/s1
InChIKeyBKXSMBDCBJGWQF-GAGCMDECSA-N
MW393.43 g/mol
LogP2.84
Rot. Bonds3

About [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170387294) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170387294
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name[2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1ccc2cc([C@@H]3c4nc[nH]c4CCN3C(=O)c3ccnn3C(C)F)nn2c1
InChIInChI=1S/C20H20FN7O/c1-12-3-4-14-9-16(25-27(14)10-12)19-18-15(22-11-23-18)6-8-26(19)20(29)17-5-7-24-28(17)13(2)21/h3-5,7,9-11,13,19H,6,8H2,1-2H3,(H,22,23)/t13?,19-/m1/s1
InChIKeyBKXSMBDCBJGWQF-GAGCMDECSA-N
XLogP2.84
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

(2-propan-2-ylpyrazol-3-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333490
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333371
[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170380326
(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
[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazol-3-yl]methanone
CID 169164964
[4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174145278
[5-(1-fluoroethyl)-1H-pyrazol-4-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170393545
(2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170194057
[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-[4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332531
(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
[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
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332828

Frequently Asked Questions

What is the IUPAC name of [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170387294) is [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1ccc2cc([C@@H]3c4nc[nH]c4CCN3C(=O)c3ccnn3C(C)F)nn2c1.
What is the InChIKey of [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is BKXSMBDCBJGWQF-GAGCMDECSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-12-3-4-14-9-16(25-27(14)10-12)19-18-15(22-11-23-18)6-8-26(19)20(29)17-5-7-24-28(17)13(2)21/h3-5,7,9-11,13,19H,6,8H2,1-2H3,(H,22,23)/t13?,19-/m1/s1.
What are the key properties of [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 393.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-fluoroethyl)pyrazol-3-yl]-[(4S)-4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170387294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).