N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid

C62H58F6N10O5 — CID 161343703

IUPACN-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid
SMILESCc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3c2)ccc1C(=O)O.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)NC5(C#N)CC5)c(C)c4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C33H31F3N6O2.C29H27F3N4O3/c1-19-13-21(3-7-26(19)31(44)41-32(18-37)9-10-32)23-15-27(38-12-11-33(34,35)36)29-39-16-28(42(29)17-23)22-4-8-25(20(2)14-22)30(43)40-24-5-6-24;1-16-12-19(4-7-22(16)27(37)35-21-5-6-21)25-14-34-26-24(33-10-9-29(30,31)32)13-20(15-36(25)26)18-3-8-23(28(38)39)17(2)11-18/h3-4,7-8,13-17,24,38H,5-6,9-12H2,1-2H3,(H,40,43)(H,41,44);3-4,7-8,11-15,21,33H,5-6,9-10H2,1-2H3,(H,35,37)(H,38,39)
InChIKeyVNACLSRZNLLSPB-UHFFFAOYSA-N
MW1137.20 g/mol
LogP12.57
Rot. Bonds17

About N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid

N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid (PubChem CID 161343703) has the molecular formula C62H58F6N10O5 and a molecular weight of 1137.20 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid
PubChem CID161343703
Molecular FormulaC62H58F6N10O5
Molecular Weight1137.20 g/mol
Exact Mass1136.45
IUPAC NameN-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid
SMILESCc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3c2)ccc1C(=O)O.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)NC5(C#N)CC5)c(C)c4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C33H31F3N6O2.C29H27F3N4O3/c1-19-13-21(3-7-26(19)31(44)41-32(18-37)9-10-32)23-15-27(38-12-11-33(34,35)36)29-39-16-28(42(29)17-23)22-4-8-25(20(2)14-22)30(43)40-24-5-6-24;1-16-12-19(4-7-22(16)27(37)35-21-5-6-21)25-14-34-26-24(33-10-9-29(30,31)32)13-20(15-36(25)26)18-3-8-23(28(38)39)17(2)11-18/h3-4,7-8,13-17,24,38H,5-6,9-12H2,1-2H3,(H,40,43)(H,41,44);3-4,7-8,11-15,21,33H,5-6,9-10H2,1-2H3,(H,35,37)(H,38,39)
InChIKeyVNACLSRZNLLSPB-UHFFFAOYSA-N
XLogP12.57
TPSA207.05 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001137.20
LogP ≤ 512.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid with MolForge

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Related Compounds

N-(1-cyanocyclopropyl)-2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 88995783
N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 70855212
N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 161088628
4-(8-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-methylbenzamide;4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 159768311
4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 70818200
4-[6-(3-hydroxyprop-1-ynyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
CID 66555814
methyl 2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 158940379
4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
CID 158480442
2-methyl-N-[(1S,2S)-2-methylcyclopropyl]-4-[6-[(E)-prop-1-enyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 90386643
2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 89036342
N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380326
4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 162150760

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid?
The IUPAC name of N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid (CID 161343703) is N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid.
What is the SMILES notation for N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid?
The canonical SMILES for N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid is Cc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3c2)ccc1C(=O)O.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccc(C(=O)NC5(C#N)CC5)c(C)c4)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid?
The InChIKey is VNACLSRZNLLSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3N6O2.C29H27F3N4O3/c1-19-13-21(3-7-26(19)31(44)41-32(18-37)9-10-32)23-15-27(38-12-11-33(34,35)36)29-39-16-28(42(29)17-23)22-4-8-25(20(2)14-22)30(43)40-24-5-6-24;1-16-12-19(4-7-22(16)27(37)35-21-5-6-21)25-14-34-26-24(33-10-9-29(30,31)32)13-20(15-36(25)26)18-3-8-23(28(38)39)17(2)11-18/h3-4,7-8,13-17,24,38H,5-6,9-12H2,1-2H3,(H,40,43)(H,41,44);3-4,7-8,11-15,21,33H,5-6,9-10H2,1-2H3,(H,35,37)(H,38,39).
What are the key properties of N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid?
N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid has a molecular weight of 1137.20 g/mol, XLogP of 12.57, 17 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid is sourced from PubChem (CID 161343703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).