6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide

C23H18F2N6O4S — CID 59490880

IUPAC6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCc1nc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3cc4cn[nH]c4cc3F)c2cc1F
InChIInChI=1S/C23H18F2N6O4S/c1-11-15(24)8-18-20(28-11)19(14-4-3-5-26-22(14)32)21(23(33)30-36(2,34)35)31(18)10-13-6-12-9-27-29-17(12)7-16(13)25/h3-9H,10H2,1-2H3,(H,26,32)(H,27,29)(H,30,33)
InChIKeyRFQNGIRBUJYQLJ-UHFFFAOYSA-N
MW512.50 g/mol
LogP2.59
Rot. Bonds5

About 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide

6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 59490880) has the molecular formula C23H18F2N6O4S and a molecular weight of 512.50 g/mol. Its IUPAC name is 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID59490880
Molecular FormulaC23H18F2N6O4S
Molecular Weight512.50 g/mol
Exact Mass512.11
IUPAC Name6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCc1nc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3cc4cn[nH]c4cc3F)c2cc1F
InChIInChI=1S/C23H18F2N6O4S/c1-11-15(24)8-18-20(28-11)19(14-4-3-5-26-22(14)32)21(23(33)30-36(2,34)35)31(18)10-13-6-12-9-27-29-17(12)7-16(13)25/h3-9H,10H2,1-2H3,(H,26,32)(H,27,29)(H,30,33)
InChIKeyRFQNGIRBUJYQLJ-UHFFFAOYSA-N
XLogP2.59
TPSA142.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.50
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1H-pyrazole-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506360
5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-2-carboxamide
CID 70675044
2-tert-butyl-1'-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292553
4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide
CID 73426736
4-N-cyclopropyl-6-(1H-indazol-7-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 132168056
N-(1-(4-fluorobenzyl)-6-(7-hydroxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-4-yl)methanesulfonamide
CID 147837559
N-(1-(4-fluorobenzyl)-6-(7-hydroxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-4-yl)ethanesulfonamide
CID 148928582

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide (CID 59490880) is 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide is Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3cc4cn[nH]c4cc3F)c2cc1F.
What is the InChIKey of 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is RFQNGIRBUJYQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O4S/c1-11-15(24)8-18-20(28-11)19(14-4-3-5-26-22(14)32)21(23(33)30-36(2,34)35)31(18)10-13-6-12-9-27-29-17(12)7-16(13)25/h3-9H,10H2,1-2H3,(H,26,32)(H,27,29)(H,30,33).
What are the key properties of 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 512.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 59490880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).