2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide

C23H27F3N6O — CID 177065630

IUPAC2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3cccc4nc(C(F)(F)F)cn34)CC2)ccn1
InChIInChI=1S/C23H27F3N6O/c1-2-27-19-13-15(11-12-28-19)22(33)30-17-6-3-5-16(9-10-17)29-20-7-4-8-21-31-18(14-32(20)21)23(24,25)26/h4,7-8,11-14,16-17,29H,2-3,5-6,9-10H2,1H3,(H,27,28)(H,30,33)/t16-,17+/m0/s1
InChIKeyBAQIDZFKOFVQPE-DLBZAZTESA-N
MW460.50 g/mol
LogP4.72
Rot. Bonds6

About 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide

2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide (PubChem CID 177065630) has the molecular formula C23H27F3N6O and a molecular weight of 460.50 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
PubChem CID177065630
Molecular FormulaC23H27F3N6O
Molecular Weight460.50 g/mol
Exact Mass460.22
IUPAC Name2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3cccc4nc(C(F)(F)F)cn34)CC2)ccn1
InChIInChI=1S/C23H27F3N6O/c1-2-27-19-13-15(11-12-28-19)22(33)30-17-6-3-5-16(9-10-17)29-20-7-4-8-21-31-18(14-32(20)21)23(24,25)26/h4,7-8,11-14,16-17,29H,2-3,5-6,9-10H2,1H3,(H,27,28)(H,30,33)/t16-,17+/m0/s1
InChIKeyBAQIDZFKOFVQPE-DLBZAZTESA-N
XLogP4.72
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558229
2-(propan-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558337
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558091
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
CID 168782772
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate
CID 166009025
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
2-(prop-1-en-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohept-4-en-1-yl]pyridine-4-carboxamide
CID 164558149
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 164558388

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide (CID 177065630) is 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide is CCNc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3cccc4nc(C(F)(F)F)cn34)CC2)ccn1.
What is the InChIKey of 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide?
The InChIKey is BAQIDZFKOFVQPE-DLBZAZTESA-N. The full InChI is InChI=1S/C23H27F3N6O/c1-2-27-19-13-15(11-12-28-19)22(33)30-17-6-3-5-16(9-10-17)29-20-7-4-8-21-31-18(14-32(20)21)23(24,25)26/h4,7-8,11-14,16-17,29H,2-3,5-6,9-10H2,1H3,(H,27,28)(H,30,33)/t16-,17+/m0/s1.
What are the key properties of 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide?
2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide is sourced from PubChem (CID 177065630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).