2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide

C24H22F2N6O2 — CID 139413857

IUPAC2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2C2CCNC2)n1
InChIInChI=1S/C24H22F2N6O2/c1-32-22-14(12-29-32)20(13-6-8-27-11-13)18(10-16(22)26)31-24(33)17-7-9-28-23(30-17)21-15(25)4-3-5-19(21)34-2/h3-5,7,9-10,12-13,27H,6,8,11H2,1-2H3,(H,31,33)
InChIKeySMYHYTSRIMGDJL-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.65
Rot. Bonds5

About 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide

2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 139413857) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide
PubChem CID139413857
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2C2CCNC2)n1
InChIInChI=1S/C24H22F2N6O2/c1-32-22-14(12-29-32)20(13-6-8-27-11-13)18(10-16(22)26)31-24(33)17-7-9-28-23(30-17)21-15(25)4-3-5-19(21)34-2/h3-5,7,9-10,12-13,27H,6,8,11H2,1-2H3,(H,31,33)
InChIKeySMYHYTSRIMGDJL-UHFFFAOYSA-N
XLogP3.65
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-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

4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[2-(2-fluoro-ethoxy)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 86666030
4-(azetidine-1-carbonyl)-N-[2-[2-(3-fluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414845
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378960
4-(azetidine-1-carbonyl)-N-[2-[2-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414866
4-N-cyclopropyl-5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414917
4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
CID 165414945
4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414948
5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414976
4-N-(2-fluoroethyl)-5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414990
4-(3-fluoroazetidine-1-carbonyl)-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165415003
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
US10752635, Example 5, Peak 1
CID 139413844

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide (CID 139413857) is 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide is COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2C2CCNC2)n1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is SMYHYTSRIMGDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-32-22-14(12-29-32)20(13-6-8-27-11-13)18(10-16(22)26)31-24(33)17-7-9-28-23(30-17)21-15(25)4-3-5-19(21)34-2/h3-5,7,9-10,12-13,27H,6,8,11H2,1-2H3,(H,31,33).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide?
2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrrolidin-3-ylindazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 139413857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).