[1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone

C18H14F3N3O2 — CID 152792091

IUPAC[1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
SMILESCOc1c(F)cc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1F
InChIInChI=1S/C18H14F3N3O2/c1-26-16-13(20)6-12(7-14(16)21)24-15(18(25)23-8-11(19)9-23)5-10-3-2-4-22-17(10)24/h2-7,11H,8-9H2,1H3
InChIKeySIBXOBSVOGRXDT-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.11
Rot. Bonds3

About [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone

[1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone (PubChem CID 152792091) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
PubChem CID152792091
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name[1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
SMILESCOc1c(F)cc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1F
InChIInChI=1S/C18H14F3N3O2/c1-26-16-13(20)6-12(7-14(16)21)24-15(18(25)23-8-11(19)9-23)5-10-3-2-4-22-17(10)24/h2-7,11H,8-9H2,1H3
InChIKeySIBXOBSVOGRXDT-UHFFFAOYSA-N
XLogP3.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5330616
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CID 24857105
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52936150
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-2-one
CID 122600989
4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
CID 127036567
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CID 148928719
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxybenzamide
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CID 3588218
4-fluoro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226617
(7-Fluoro-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055775
1-(4-Methoxyphenyl)-4-(3-{2-methyl-3H-imidazo[4,5-B]pyridin-3-YL}benzoyl)piperazine
CID 16022283
N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone (CID 152792091) is [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone is COc1c(F)cc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1F.
What is the InChIKey of [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is SIBXOBSVOGRXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-26-16-13(20)6-12(7-14(16)21)24-15(18(25)23-8-11(19)9-23)5-10-3-2-4-22-17(10)24/h2-7,11H,8-9H2,1H3.
What are the key properties of [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone?
[1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 361.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 152792091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).