2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C26H25F3N6O — CID 172563801

IUPAC2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncccn2c1C(=O)NCc1ccc(-c2ncc3c(n2)CCCC(C(F)(F)F)C3)cc1
InChIInChI=1S/C26H25F3N6O/c1-2-20-22(35-12-4-11-30-25(35)34-20)24(36)32-14-16-7-9-17(10-8-16)23-31-15-18-13-19(26(27,28)29)5-3-6-21(18)33-23/h4,7-12,15,19H,2-3,5-6,13-14H2,1H3,(H,32,36)
InChIKeyFLJKFKRTMJSDNH-UHFFFAOYSA-N
MW494.52 g/mol
LogP4.74
Rot. Bonds5

About 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 172563801) has the molecular formula C26H25F3N6O and a molecular weight of 494.52 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID172563801
Molecular FormulaC26H25F3N6O
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncccn2c1C(=O)NCc1ccc(-c2ncc3c(n2)CCCC(C(F)(F)F)C3)cc1
InChIInChI=1S/C26H25F3N6O/c1-2-20-22(35-12-4-11-30-25(35)34-20)24(36)32-14-16-7-9-17(10-8-16)23-31-15-18-13-19(26(27,28)29)5-3-6-21(18)33-23/h4,7-12,15,19H,2-3,5-6,13-14H2,1H3,(H,32,36)
InChIKeyFLJKFKRTMJSDNH-UHFFFAOYSA-N
XLogP4.74
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-ethyl-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 176614007
2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 176613992
tert-butyl N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methyl]carbamate
CID 172563788
2-ethyl-N-[[4-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176614133
2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81424400
2-ethyl-6-methyl-N-[[4-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126629
6-chloro-2-ethyl-N-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135194020
2-ethyl-N-[[4-[(5S)-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 176614051
6-chloro-2-ethyl-N-[[4-(1-pyridin-3-ylpiperidin-4-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135193990
2-(difluoromethyl)-N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 171534358
2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009847
8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442236

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 172563801) is 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is CCc1nc2ncccn2c1C(=O)NCc1ccc(-c2ncc3c(n2)CCCC(C(F)(F)F)C3)cc1.
What is the InChIKey of 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FLJKFKRTMJSDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O/c1-2-20-22(35-12-4-11-30-25(35)34-20)24(36)32-14-16-7-9-17(10-8-16)23-31-15-18-13-19(26(27,28)29)5-3-6-21(18)33-23/h4,7-12,15,19H,2-3,5-6,13-14H2,1H3,(H,32,36).
What are the key properties of 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[4-[6-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 172563801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).