(8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C19H15FN6O — CID 77094001

IUPAC(8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc2cccc(F)c2n1)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1
InChIInChI=1S/C19H15FN6O/c20-13-3-1-2-11-4-5-15(23-17(11)13)19(27)26-7-6-14-16(10-26)25-18(24-14)12-8-21-22-9-12/h1-5,8-9H,6-7,10H2,(H,21,22)(H,24,25)
InChIKeyNOPQLKOPWDMEHS-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.69
Rot. Bonds2

About (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 77094001) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID77094001
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name(8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc2cccc(F)c2n1)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1
InChIInChI=1S/C19H15FN6O/c20-13-3-1-2-11-4-5-15(23-17(11)13)19(27)26-7-6-14-16(10-26)25-18(24-14)12-8-21-22-9-12/h1-5,8-9H,6-7,10H2,(H,21,22)(H,24,25)
InChIKeyNOPQLKOPWDMEHS-UHFFFAOYSA-N
XLogP2.69
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 77089555
[4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 77091366
6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 77085838
(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 72864184
pyridin-4-yl-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 77085984
(8-fluoroquinolin-2-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170505117
(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72910183
3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91762486
[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 72849051
3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 77089409
1,6-dimethyl-3-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 72888149
(6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 167862473

Frequently Asked Questions

What is the IUPAC name of (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 77094001) is (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1ccc2cccc(F)c2n1)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1.
What is the InChIKey of (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is NOPQLKOPWDMEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c20-13-3-1-2-11-4-5-15(23-17(11)13)19(27)26-7-6-14-16(10-26)25-18(24-14)12-8-21-22-9-12/h1-5,8-9H,6-7,10H2,(H,21,22)(H,24,25).
What are the key properties of (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 362.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 77094001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).