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

C24H20ClFN6O2 — CID 59490886

IUPAC1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C24H20ClFN6O2/c1-3-27-24(34)22-20(15-5-4-6-28-23(15)33)21-19(9-17(26)12(2)30-21)32(22)11-14-7-13-10-29-31-18(13)8-16(14)25/h4-10H,3,11H2,1-2H3,(H,27,34)(H,28,33)(H,29,31)
InChIKeyGIPXZZJZVMDGDS-UHFFFAOYSA-N
MW478.92 g/mol
LogP4.17
Rot. Bonds5

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

1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 59490886) has the molecular formula C24H20ClFN6O2 and a molecular weight of 478.92 g/mol. Its IUPAC name is 1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID59490886
Molecular FormulaC24H20ClFN6O2
Molecular Weight478.92 g/mol
Exact Mass478.13
IUPAC Name1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C24H20ClFN6O2/c1-3-27-24(34)22-20(15-5-4-6-28-23(15)33)21-19(9-17(26)12(2)30-21)32(22)11-14-7-13-10-29-31-18(13)8-16(14)25/h4-10H,3,11H2,1-2H3,(H,27,34)(H,28,33)(H,29,31)
InChIKeyGIPXZZJZVMDGDS-UHFFFAOYSA-N
XLogP4.17
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

Factor D inhibitor 6
CID 68283608
4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 164613342
2-(6-chloro-5-(1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carbonyl)-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 25113874
2-(5-(1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 25114098
(6-chloro-1-methyl-1H-indol-5-yl)(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)methanone
CID 44426958
2-tert-butyl-1'-(3-chloro-1H-indole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967949
2-tert-butyl-1'-(3-chloro-1H-indole-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967950
1-[2-[(1R,3S,5R)-3-[[(1S)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 71009743
2-tert-butyl-1'-(3-chloro-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292554
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone
CID 118879403
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone
CID 118879437
N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 127047591

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide (CID 59490886) is 1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide is CCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc2cn[nH]c2cc1Cl.
What is the InChIKey of 1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is GIPXZZJZVMDGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O2/c1-3-27-24(34)22-20(15-5-4-6-28-23(15)33)21-19(9-17(26)12(2)30-21)32(22)11-14-7-13-10-29-31-18(13)8-16(14)25/h4-10H,3,11H2,1-2H3,(H,27,34)(H,28,33)(H,29,31).
What are the key properties of 1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 478.92 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-1H-indazol-5-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 59490886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).