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

C24H25F3N6O — CID 164558149

IUPAC2-(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
SMILESC=C(C)Nc1cc(C(=O)NC2CCC=C(Nc3cccc4nc(C(F)(F)F)cn34)CC2)ccn1
InChIInChI=1S/C24H25F3N6O/c1-15(2)29-20-13-16(11-12-28-20)23(34)31-18-6-3-5-17(9-10-18)30-21-7-4-8-22-32-19(14-33(21)22)24(25,26)27/h4-5,7-8,11-14,18,30H,1,3,6,9-10H2,2H3,(H,28,29)(H,31,34)
InChIKeyWGSUYXNLVKAZHM-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.36
Rot. Bonds6

About 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

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 (PubChem CID 164558149) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID164558149
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name2-(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
SMILESC=C(C)Nc1cc(C(=O)NC2CCC=C(Nc3cccc4nc(C(F)(F)F)cn34)CC2)ccn1
InChIInChI=1S/C24H25F3N6O/c1-15(2)29-20-13-16(11-12-28-20)23(34)31-18-6-3-5-17(9-10-18)30-21-7-4-8-22-32-19(14-33(21)22)24(25,26)27/h4-5,7-8,11-14,18,30H,1,3,6,9-10H2,2H3,(H,28,29)(H,31,34)
InChIKeyWGSUYXNLVKAZHM-UHFFFAOYSA-N
XLogP5.36
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-(methylsulfanylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohept-4-en-1-yl]benzamide
CID 164558131
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
2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
CID 177065630
3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558091
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
N-[(1S)-4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohex-3-en-1-yl]-3-methoxybenzamide
CID 175622466
N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine
CID 164558188
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
CID 168782772
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)Nc1cc(C(=O)NC2CCC=C(Nc3cccc4nc(C(F)(F)F)cn34)CC2)ccn1.
What is the InChIKey of 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?
The InChIKey is WGSUYXNLVKAZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-15(2)29-20-13-16(11-12-28-20)23(34)31-18-6-3-5-17(9-10-18)30-21-7-4-8-22-32-19(14-33(21)22)24(25,26)27/h4-5,7-8,11-14,18,30H,1,3,6,9-10H2,2H3,(H,28,29)(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 470.50 g/mol, XLogP of 5.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164558149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).