(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C20H19FN4O — CID 176505258

IUPAC(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1c2cc(F)ccc2CCN1C(=O)c1cnc2c(c1)ncn2C1CC1
InChIInChI=1S/C20H19FN4O/c1-12-17-9-15(21)3-2-13(17)6-7-24(12)20(26)14-8-18-19(22-10-14)25(11-23-18)16-4-5-16/h2-3,8-12,16H,4-7H2,1H3
InChIKeyFSGMKRZPOAIASR-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.66
Rot. Bonds2

About (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 176505258) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID176505258
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1c2cc(F)ccc2CCN1C(=O)c1cnc2c(c1)ncn2C1CC1
InChIInChI=1S/C20H19FN4O/c1-12-17-9-15(21)3-2-13(17)6-7-24(12)20(26)14-8-18-19(22-10-14)25(11-23-18)16-4-5-16/h2-3,8-12,16H,4-7H2,1H3
InChIKeyFSGMKRZPOAIASR-UHFFFAOYSA-N
XLogP3.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 86954667
(2,4-difluorophenyl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954607
methyl 4-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridine-2-carboxylate
CID 96570175
methyl 4-[(1S)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridine-2-carboxylate
CID 96570176
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 77082839
6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one
CID 74247646
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416501
5-[(1S)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1H-pyrrole-3-carboxamide
CID 96528884
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-2H-triazol-4-yl)methanone
CID 118766923
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121497569
(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 75499937
(4,5-dichloro-1-methylpyrrol-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954520

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 176505258) is (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1c2cc(F)ccc2CCN1C(=O)c1cnc2c(c1)ncn2C1CC1.
What is the InChIKey of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is FSGMKRZPOAIASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-12-17-9-15(21)3-2-13(17)6-7-24(12)20(26)14-8-18-19(22-10-14)25(11-23-18)16-4-5-16/h2-3,8-12,16H,4-7H2,1H3.
What are the key properties of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 176505258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).