2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide

C24H19F2N7O2 — CID 139413933

IUPAC2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2-c2cnn(C)c2)n1
InChIInChI=1S/C24H19F2N7O2/c1-32-12-13(10-28-32)20-14-11-29-33(2)22(14)16(26)9-18(20)31-24(34)17-7-8-27-23(30-17)21-15(25)5-4-6-19(21)35-3/h4-12H,1-3H3,(H,31,34)
InChIKeyITYQPNOLNJGQEO-UHFFFAOYSA-N
MW475.46 g/mol
LogP3.97
Rot. Bonds5

About 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide

2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide (PubChem CID 139413933) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide
PubChem CID139413933
Molecular FormulaC24H19F2N7O2
Molecular Weight475.46 g/mol
Exact Mass475.16
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2-c2cnn(C)c2)n1
InChIInChI=1S/C24H19F2N7O2/c1-32-12-13(10-28-32)20-14-11-29-33(2)22(14)16(26)9-18(20)31-24(34)17-7-8-27-23(30-17)21-15(25)5-4-6-19(21)35-3/h4-12H,1-3H3,(H,31,34)
InChIKeyITYQPNOLNJGQEO-UHFFFAOYSA-N
XLogP3.97
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide (CID 139413933) is 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide is COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2-c2cnn(C)c2)n1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide?
The InChIKey is ITYQPNOLNJGQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c1-32-12-13(10-28-32)20-14-11-29-33(2)22(14)16(26)9-18(20)31-24(34)17-7-8-27-23(30-17)21-15(25)5-4-6-19(21)35-3/h4-12H,1-3H3,(H,31,34).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide?
2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(1-methylpyrazol-4-yl)indazol-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 139413933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).