N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C25H18F3N7O — CID 156739430

IUPACN-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1-c1ccc2cnn(-c3cc(N)ncn3)c2c1
InChIInChI=1S/C25H18F3N7O/c1-14-2-6-18(34-24(36)17-5-7-21(30-11-17)25(26,27)28)9-19(14)15-3-4-16-12-33-35(20(16)8-15)23-10-22(29)31-13-32-23/h2-13H,1H3,(H,34,36)(H2,29,31,32)
InChIKeyTWTVUKQGDNAJNR-UHFFFAOYSA-N
MW489.46 g/mol
LogP5.04
Rot. Bonds4

About N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 156739430) has the molecular formula C25H18F3N7O and a molecular weight of 489.46 g/mol. Its IUPAC name is N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID156739430
Molecular FormulaC25H18F3N7O
Molecular Weight489.46 g/mol
Exact Mass489.15
IUPAC NameN-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1-c1ccc2cnn(-c3cc(N)ncn3)c2c1
InChIInChI=1S/C25H18F3N7O/c1-14-2-6-18(34-24(36)17-5-7-21(30-11-17)25(26,27)28)9-19(14)15-3-4-16-12-33-35(20(16)8-15)23-10-22(29)31-13-32-23/h2-13H,1H3,(H,34,36)(H2,29,31,32)
InChIKeyTWTVUKQGDNAJNR-UHFFFAOYSA-N
XLogP5.04
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.46
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 176572423
N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide
CID 156739418
N-[3-[2-(2-acetamido-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176572506
N-[3-(2-aminoquinolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59437987
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122290654
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38117199
N-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 134271243
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122291399
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 156739430) is N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1-c1ccc2cnn(-c3cc(N)ncn3)c2c1.
What is the InChIKey of N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is TWTVUKQGDNAJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N7O/c1-14-2-6-18(34-24(36)17-5-7-21(30-11-17)25(26,27)28)9-19(14)15-3-4-16-12-33-35(20(16)8-15)23-10-22(29)31-13-32-23/h2-13H,1H3,(H,34,36)(H2,29,31,32).
What are the key properties of N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 489.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 156739430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).