N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide

C24H19F3N6O — CID 165142502

IUPACN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3ccc4c(c3)N(c3cncnc3)CC4)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H19F3N6O/c1-15-12-32(14-30-15)20-8-18(24(25,26)27)7-19(9-20)31-23(34)17-3-2-16-4-5-33(22(16)6-17)21-10-28-13-29-11-21/h2-3,6-14H,4-5H2,1H3,(H,31,34)
InChIKeyNOOHRXDVCISVNU-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.94
Rot. Bonds4

About N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide

N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide (PubChem CID 165142502) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide
PubChem CID165142502
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3ccc4c(c3)N(c3cncnc3)CC4)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H19F3N6O/c1-15-12-32(14-30-15)20-8-18(24(25,26)27)7-19(9-20)31-23(34)17-3-2-16-4-5-33(22(16)6-17)21-10-28-13-29-11-21/h2-3,6-14H,4-5H2,1H3,(H,31,34)
InChIKeyNOOHRXDVCISVNU-UHFFFAOYSA-N
XLogP4.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;ethane
CID 162361882
(2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide
CID 155534046
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142581
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide
CID 58366979
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 171730175
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-(3-pyrimidin-5-ylprop-2-enoylamino)benzamide
CID 67494132
4-butyl-3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 165142665
4-(difluoromethyl)-3-formyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 167436045
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-(13-methyl-12-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-11-yl)benzamide
CID 15951082
2-amino-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 141158553
3-amino-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 162622455
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[pyridin-4-yl(pyrimidin-2-yl)amino]benzamide
CID 174645654

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide (CID 165142502) is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide is Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)N(c3cncnc3)CC4)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide?
The InChIKey is NOOHRXDVCISVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c1-15-12-32(14-30-15)20-8-18(24(25,26)27)7-19(9-20)31-23(34)17-3-2-16-4-5-33(22(16)6-17)21-10-28-13-29-11-21/h2-3,6-14H,4-5H2,1H3,(H,31,34).
What are the key properties of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide?
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).