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

C24H22F2N6O3 — CID 139413889

IUPAC2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCOCC2)n1
InChIInChI=1S/C24H22F2N6O3/c1-31-21-14(13-28-31)22(32-8-10-35-11-9-32)18(12-16(21)26)30-24(33)17-6-7-27-23(29-17)20-15(25)4-3-5-19(20)34-2/h3-7,12-13H,8-11H2,1-2H3,(H,30,33)
InChIKeyVDVJUBIALSZSKE-UHFFFAOYSA-N
MW480.48 g/mol
LogP3.41
Rot. Bonds5

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

2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 139413889) has the molecular formula C24H22F2N6O3 and a molecular weight of 480.48 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide
PubChem CID139413889
Molecular FormulaC24H22F2N6O3
Molecular Weight480.48 g/mol
Exact Mass480.17
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCOCC2)n1
InChIInChI=1S/C24H22F2N6O3/c1-31-21-14(13-28-31)22(32-8-10-35-11-9-32)18(12-16(21)26)30-24(33)17-6-7-27-23(29-17)20-15(25)4-3-5-19(20)34-2/h3-7,12-13H,8-11H2,1-2H3,(H,30,33)
InChIKeyVDVJUBIALSZSKE-UHFFFAOYSA-N
XLogP3.41
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139413928
2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyridin-3-ylindazol-5-yl)pyrimidine-4-carboxamide
CID 139413981
2-(2-fluoro-6-methoxyphenyl)-N-[7-fluoro-1-methyl-4-(2-methylphenyl)indazol-5-yl]pyrimidine-4-carboxamide
CID 139413852
2-(2-fluoro-6-methoxyphenyl)-N-[1-methyl-4-[methyl(oxan-4-yl)amino]indazol-5-yl]pyrimidine-4-carboxamide
CID 139415196
5-[[2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carbonyl]amino]-1-methyl-4-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]indazole-7-carboxylic acid
CID 139413847
2-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-1-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]ethanone
CID 161426770
2-(2-fluoro-6-methoxyphenyl)-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 139446103
[1-[5-[[2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carbonyl]amino]-2,7-dimethylindazol-4-yl]pyrrolidin-3-yl]carbamic acid
CID 139413960
N-[2-amino-5-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide;methylcyclopentane
CID 159606998
2-(2-fluoro-6-methoxyphenyl)-N-[1-methyl-4-[methyl-(1-methylsulfonylpyrrolidin-3-yl)amino]indazol-5-yl]pyrimidine-4-carboxamide
CID 139415205
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5-fluorophenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 171344643
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 168988510

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide (CID 139413889) is 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide is COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CCOCC2)n1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is VDVJUBIALSZSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O3/c1-31-21-14(13-28-31)22(32-8-10-35-11-9-32)18(12-16(21)26)30-24(33)17-6-7-27-23(29-17)20-15(25)4-3-5-19(20)34-2/h3-7,12-13H,8-11H2,1-2H3,(H,30,33).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide?
2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 480.48 g/mol, XLogP of 3.41, 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-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 139413889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).