(7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C16H14FN3O2 — CID 42290505

IUPAC(7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1c(C(=O)N2CCc3[nH]ncc3C2)oc2c(F)cccc12
InChIInChI=1S/C16H14FN3O2/c1-9-11-3-2-4-12(17)15(11)22-14(9)16(21)20-6-5-13-10(8-20)7-18-19-13/h2-4,7H,5-6,8H2,1H3,(H,18,19)
InChIKeyLIESZRIOMWKFEU-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.80
Rot. Bonds1

About (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

(7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 42290505) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID42290505
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1c(C(=O)N2CCc3[nH]ncc3C2)oc2c(F)cccc12
InChIInChI=1S/C16H14FN3O2/c1-9-11-3-2-4-12(17)15(11)22-14(9)16(21)20-6-5-13-10(8-20)7-18-19-13/h2-4,7H,5-6,8H2,1H3,(H,18,19)
InChIKeyLIESZRIOMWKFEU-UHFFFAOYSA-N
XLogP2.80
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 42510639
methyl 2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757825
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779859
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 40766177
1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115692460
(5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 167785735
(3-bromo-2-chlorophenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75518637
7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide
CID 9075061
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 71927981
2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one
CID 86859583
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 42290505) is (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is Cc1c(C(=O)N2CCc3[nH]ncc3C2)oc2c(F)cccc12.
What is the InChIKey of (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is LIESZRIOMWKFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-9-11-3-2-4-12(17)15(11)22-14(9)16(21)20-6-5-13-10(8-20)7-18-19-13/h2-4,7H,5-6,8H2,1H3,(H,18,19).
What are the key properties of (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
(7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 299.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 42290505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).