[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

C19H18FN7O — CID 170393545

IUPAC[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
SMILESCC(F)c1[nH]ncc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2ccccn2n1
InChIInChI=1S/C19H18FN7O/c1-11(20)16-13(9-23-24-16)19(28)26-7-5-14-17(22-10-21-14)18(26)15-8-12-4-2-3-6-27(12)25-15/h2-4,6,8-11,18H,5,7H2,1H3,(H,21,22)(H,23,24)/t11?,18-/m1/s1
InChIKeyXYGXTUWXKSDOBF-KKIBXBACSA-N
MW379.40 g/mol
LogP2.60
Rot. Bonds3

About [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

[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 (PubChem CID 170393545) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID170393545
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name[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
SMILESCC(F)c1[nH]ncc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2ccccn2n1
InChIInChI=1S/C19H18FN7O/c1-11(20)16-13(9-23-24-16)19(28)26-7-5-14-17(22-10-21-14)18(26)15-8-12-4-2-3-6-27(12)25-15/h2-4,6,8-11,18H,5,7H2,1H3,(H,21,22)(H,23,24)/t11?,18-/m1/s1
InChIKeyXYGXTUWXKSDOBF-KKIBXBACSA-N
XLogP2.60
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [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 with MolForge

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Related Compounds

[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
(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170193642
(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
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 170332717
[2-(2-fluoropropan-2-yl)-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 169165334
[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170332838
(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
[4-chloro-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 169166335
(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
[2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333541
2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 170384391
[(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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(F)c1[nH]ncc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2ccccn2n1.
What is the InChIKey of [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?
The InChIKey is XYGXTUWXKSDOBF-KKIBXBACSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-11(20)16-13(9-23-24-16)19(28)26-7-5-14-17(22-10-21-14)18(26)15-8-12-4-2-3-6-27(12)25-15/h2-4,6,8-11,18H,5,7H2,1H3,(H,21,22)(H,23,24)/t11?,18-/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 379.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 170393545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).