N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C24H23FN6O3S — CID 163494415

IUPACN-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCc1cc(S(=O)(=O)N2CC(n3cc(-c4cc(NC(=O)C5CC5)nc5[nH]ccc45)cn3)C2)ccc1F
InChIInChI=1S/C24H23FN6O3S/c1-14-8-18(4-5-21(14)25)35(33,34)30-12-17(13-30)31-11-16(10-27-31)20-9-22(29-24(32)15-2-3-15)28-23-19(20)6-7-26-23/h4-11,15,17H,2-3,12-13H2,1H3,(H2,26,28,29,32)
InChIKeyCPLQMSIJCNGSDN-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.47
Rot. Bonds6

About N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 163494415) has the molecular formula C24H23FN6O3S and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID163494415
Molecular FormulaC24H23FN6O3S
Molecular Weight494.55 g/mol
Exact Mass494.15
IUPAC NameN-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCc1cc(S(=O)(=O)N2CC(n3cc(-c4cc(NC(=O)C5CC5)nc5[nH]ccc45)cn3)C2)ccc1F
InChIInChI=1S/C24H23FN6O3S/c1-14-8-18(4-5-21(14)25)35(33,34)30-12-17(13-30)31-11-16(10-27-31)20-9-22(29-24(32)15-2-3-15)28-23-19(20)6-7-26-23/h4-11,15,17H,2-3,12-13H2,1H3,(H2,26,28,29,32)
InChIKeyCPLQMSIJCNGSDN-UHFFFAOYSA-N
XLogP3.47
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-methyl-N-[(7R)-5-(3-methylphenyl)sulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118911492
N-[(7R)-5-(4-fluorophenyl)sulfonyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118911575
N-[(7R)-5-(2-fluorophenyl)sulfonyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118911583
N-[(7R)-5-(3-fluorophenyl)sulfonyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118911643
N-methyl-N-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126643886
2-[1-ethylsulfonyl-3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129236766
(1R,2R)-N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455293
(1S,2S)-N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455294
N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455390
N-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455392
N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-(1-methylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455449
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-(N,S-dimethylsulfonimidoyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455461

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 163494415) is N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is Cc1cc(S(=O)(=O)N2CC(n3cc(-c4cc(NC(=O)C5CC5)nc5[nH]ccc45)cn3)C2)ccc1F.
What is the InChIKey of N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is CPLQMSIJCNGSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3S/c1-14-8-18(4-5-21(14)25)35(33,34)30-12-17(13-30)31-11-16(10-27-31)20-9-22(29-24(32)15-2-3-15)28-23-19(20)6-7-26-23/h4-11,15,17H,2-3,12-13H2,1H3,(H2,26,28,29,32).
What are the key properties of N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163494415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).