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

C23H17F2N7O2 — CID 139413845

IUPAC2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2-n2cccn2)n1
InChIInChI=1S/C23H17F2N7O2/c1-31-20-13(12-28-31)21(32-10-4-8-27-32)17(11-15(20)25)30-23(33)16-7-9-26-22(29-16)19-14(24)5-3-6-18(19)34-2/h3-12H,1-2H3,(H,30,33)
InChIKeyBROXEUKYDJGBFW-UHFFFAOYSA-N
MW461.43 g/mol
LogP3.76
Rot. Bonds5

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

2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 139413845) has the molecular formula C23H17F2N7O2 and a molecular weight of 461.43 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide
PubChem CID139413845
Molecular FormulaC23H17F2N7O2
Molecular Weight461.43 g/mol
Exact Mass461.14
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2-n2cccn2)n1
InChIInChI=1S/C23H17F2N7O2/c1-31-20-13(12-28-31)21(32-10-4-8-27-32)17(11-15(20)25)30-23(33)16-7-9-26-22(29-16)19-14(24)5-3-6-18(19)34-2/h3-12H,1-2H3,(H,30,33)
InChIKeyBROXEUKYDJGBFW-UHFFFAOYSA-N
XLogP3.76
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 53.76
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-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide (CID 139413845) is 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide is COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2-n2cccn2)n1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is BROXEUKYDJGBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N7O2/c1-31-20-13(12-28-31)21(32-10-4-8-27-32)17(11-15(20)25)30-23(33)16-7-9-26-22(29-16)19-14(24)5-3-6-18(19)34-2/h3-12H,1-2H3,(H,30,33).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide?
2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 461.43 g/mol, XLogP of 3.76, 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-pyrazol-1-ylindazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 139413845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).