(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C19H15F2N3O — CID 24632252

IUPAC(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H15F2N3O/c20-16-4-3-13(10-17(16)21)19(25)24-8-5-12(6-9-24)15-11-23-18-14(15)2-1-7-22-18/h1-5,7,10-11H,6,8-9H2,(H,22,23)
InChIKeyFRNMVLMUWHODJG-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.77
Rot. Bonds2

About (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 24632252) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID24632252
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H15F2N3O/c20-16-4-3-13(10-17(16)21)19(25)24-8-5-12(6-9-24)15-11-23-18-14(15)2-1-7-22-18/h1-5,7,10-11H,6,8-9H2,(H,22,23)
InChIKeyFRNMVLMUWHODJG-UHFFFAOYSA-N
XLogP3.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
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CID 55552636
1-[5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 42032790
2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
CID 55553104
[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 24632257
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24676151
N-[(3-fluorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634149
(2-nitrophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71943403
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 167928485
N-[2-(4-fluorophenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632510
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138
2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide
CID 42939014

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 24632252) is (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is FRNMVLMUWHODJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c20-16-4-3-13(10-17(16)21)19(25)24-8-5-12(6-9-24)15-11-23-18-14(15)2-1-7-22-18/h1-5,7,10-11H,6,8-9H2,(H,22,23).
What are the key properties of (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 339.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 24632252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).