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

C24H23F3N6O — CID 176614007

IUPAC2-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
SMILESCCc1nc2ncccn2c1C(=O)NCc1ccc(-c2cn3c(n2)C[C@H](C(F)(F)F)CC3)cc1
InChIInChI=1S/C24H23F3N6O/c1-2-18-21(33-10-3-9-28-23(33)31-18)22(34)29-13-15-4-6-16(7-5-15)19-14-32-11-8-17(24(25,26)27)12-20(32)30-19/h3-7,9-10,14,17H,2,8,11-13H2,1H3,(H,29,34)/t17-/m1/s1
InChIKeyKTBLWEKNKLGDBE-QGZVFWFLSA-N
MW468.48 g/mol
LogP4.21
Rot. Bonds5

About 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

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 (PubChem CID 176614007) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID176614007
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name2-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
SMILESCCc1nc2ncccn2c1C(=O)NCc1ccc(-c2cn3c(n2)C[C@H](C(F)(F)F)CC3)cc1
InChIInChI=1S/C24H23F3N6O/c1-2-18-21(33-10-3-9-28-23(33)31-18)22(34)29-13-15-4-6-16(7-5-15)19-14-32-11-8-17(24(25,26)27)12-20(32)30-19/h3-7,9-10,14,17H,2,8,11-13H2,1H3,(H,29,34)/t17-/m1/s1
InChIKeyKTBLWEKNKLGDBE-QGZVFWFLSA-N
XLogP4.21
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171395411
6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135193991
6-chloro-2-ethyl-N-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135194020
2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009847
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)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 79016814
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-ethyl-6-methyl-N-[[4-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126724
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2ncccn2c1C(=O)NCc1ccc(-c2cn3c(n2)C[C@H](C(F)(F)F)CC3)cc1.
What is the InChIKey of 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?
The InChIKey is KTBLWEKNKLGDBE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-2-18-21(33-10-3-9-28-23(33)31-18)22(34)29-13-15-4-6-16(7-5-15)19-14-32-11-8-17(24(25,26)27)12-20(32)30-19/h3-7,9-10,14,17H,2,8,11-13H2,1H3,(H,29,34)/t17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 468.48 g/mol, XLogP of 4.21, 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-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 176614007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).