8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

C47H55F3N14O2S2 — CID 144870541

IUPAC8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC.Cc1ccc(-c2cnc3c(N4CCC(C(F)(F)F)CC4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.Cc1ccc(-c2cnc3c(NC4CCCC4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C23H24F3N7OS.C22H25N7OS.C2H6/c1-13-3-4-19(35-13)18-10-27-21-17(32-7-5-16(6-8-32)23(24,25)26)9-15(11-33(18)21)22(34)30-14(2)20-28-12-29-31-20;1-13-7-8-19(31-13)18-10-23-21-17(27-16-5-3-4-6-16)9-15(11-29(18)21)22(30)26-14(2)20-24-12-25-28-20;1-2/h3-4,9-12,14,16H,5-8H2,1-2H3,(H,30,34)(H,28,29,31);7-12,14,16,27H,3-6H2,1-2H3,(H,26,30)(H,24,25,28);1-2H3/t2*14-;/m00./s1
InChIKeyLBHAUMDSKMJWFG-VJOCCTOCSA-N
MW969.18 g/mol
LogP10.12
Rot. Bonds11

About 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 144870541) has the molecular formula C47H55F3N14O2S2 and a molecular weight of 969.18 g/mol. Its IUPAC name is 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID144870541
Molecular FormulaC47H55F3N14O2S2
Molecular Weight969.18 g/mol
Exact Mass968.40
IUPAC Name8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC.Cc1ccc(-c2cnc3c(N4CCC(C(F)(F)F)CC4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.Cc1ccc(-c2cnc3c(NC4CCCC4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C23H24F3N7OS.C22H25N7OS.C2H6/c1-13-3-4-19(35-13)18-10-27-21-17(32-7-5-16(6-8-32)23(24,25)26)9-15(11-33(18)21)22(34)30-14(2)20-28-12-29-31-20;1-13-7-8-19(31-13)18-10-23-21-17(27-16-5-3-4-6-16)9-15(11-29(18)21)22(30)26-14(2)20-24-12-25-28-20;1-2/h3-4,9-12,14,16H,5-8H2,1-2H3,(H,30,34)(H,28,29,31);7-12,14,16,27H,3-6H2,1-2H3,(H,26,30)(H,24,25,28);1-2H3/t2*14-;/m00./s1
InChIKeyLBHAUMDSKMJWFG-VJOCCTOCSA-N
XLogP10.12
TPSA191.21 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.18
LogP ≤ 510.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

US10100058, Example 334
CID 134539766
N-[2-(diethylamino)ethyl]-8-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 145966266
US10100058, Example 231
CID 134539422
US10100058, Example 155
CID 134539809
US10100058, Example 337
CID 134540218
tert-butyl N-[[(2S)-2-[[8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoyl]amino]carbamate
CID 118167889
3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118167916
3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118167917
8-(4-fluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118167934
8-(4-fluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118167937
8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118167974
8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118167976

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 144870541) is 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is CC.Cc1ccc(-c2cnc3c(N4CCC(C(F)(F)F)CC4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.Cc1ccc(-c2cnc3c(NC4CCCC4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.
What is the InChIKey of 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LBHAUMDSKMJWFG-VJOCCTOCSA-N. The full InChI is InChI=1S/C23H24F3N7OS.C22H25N7OS.C2H6/c1-13-3-4-19(35-13)18-10-27-21-17(32-7-5-16(6-8-32)23(24,25)26)9-15(11-33(18)21)22(34)30-14(2)20-28-12-29-31-20;1-13-7-8-19(31-13)18-10-23-21-17(27-16-5-3-4-6-16)9-15(11-29(18)21)22(30)26-14(2)20-24-12-25-28-20;1-2/h3-4,9-12,14,16H,5-8H2,1-2H3,(H,30,34)(H,28,29,31);7-12,14,16,27H,3-6H2,1-2H3,(H,26,30)(H,24,25,28);1-2H3/t2*14-;/m00./s1.
What are the key properties of 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 969.18 g/mol, XLogP of 10.12, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 144870541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).