2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide

C23H23FN6O3 — CID 139415214

IUPAC2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2ccc3nn(C)cc3c2N(C)CCO)n1
InChIInChI=1S/C23H23FN6O3/c1-29(11-12-31)21-14-13-30(2)28-16(14)7-8-17(21)27-23(32)18-9-10-25-22(26-18)20-15(24)5-4-6-19(20)33-3/h4-10,13,31H,11-12H2,1-3H3,(H,27,32)
InChIKeyPLKSMXCYCQHXFF-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.86
Rot. Bonds7

About 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide

2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide (PubChem CID 139415214) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide
PubChem CID139415214
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2ccc3nn(C)cc3c2N(C)CCO)n1
InChIInChI=1S/C23H23FN6O3/c1-29(11-12-31)21-14-13-30(2)28-16(14)7-8-17(21)27-23(32)18-9-10-25-22(26-18)20-15(24)5-4-6-19(20)33-3/h4-10,13,31H,11-12H2,1-3H3,(H,27,32)
InChIKeyPLKSMXCYCQHXFF-UHFFFAOYSA-N
XLogP2.86
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-N-[1-methyl-4-[methyl(oxan-4-yl)amino]indazol-5-yl]pyrimidine-4-carboxamide
CID 139415196
[1-[5-[[2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carbonyl]amino]-2,7-dimethylindazol-4-yl]pyrrolidin-3-yl]carbamic acid
CID 139413960
2-(2-fluoro-6-methoxyphenyl)-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 139446103
2-(2-fluoro-6-methoxyphenyl)-N-[1-methyl-4-[methyl-(1-methylsulfonylpyrrolidin-3-yl)amino]indazol-5-yl]pyrimidine-4-carboxamide
CID 139415205
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-(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-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide
CID 139413889
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5-fluorophenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 171344643
N-[2-[(3S)-3-[(S)-amino(hydroxy)methyl]pyrrolidin-1-yl]-5-fluorophenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 163404621
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139413928
N-[5-fluoro-2-[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]phenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139445980
N-[5-cyano-2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139446123

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide (CID 139415214) is 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide is COc1cccc(F)c1-c1nccc(C(=O)Nc2ccc3nn(C)cc3c2N(C)CCO)n1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide?
The InChIKey is PLKSMXCYCQHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-29(11-12-31)21-14-13-30(2)28-16(14)7-8-17(21)27-23(32)18-9-10-25-22(26-18)20-15(24)5-4-6-19(20)33-3/h4-10,13,31H,11-12H2,1-3H3,(H,27,32).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide?
2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-N-[4-[2-hydroxyethyl(methyl)amino]-2-methylindazol-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 139415214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).