4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide

C60H58F6N8O6 — CID 162031308

IUPAC4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5(C)CC5)c(C)c4)n3c2)ccc1C(=O)NC1(C)CC1.Cc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)O)c(C)c4)n3c2)ccc1C(=O)O
InChIInChI=1S/C34H36F3N5O2.C26H22F3N3O4/c1-20-15-22(5-7-25(20)30(43)40-32(3)9-10-32)24-17-27(38-14-13-34(35,36)37)29-39-18-28(42(29)19-24)23-6-8-26(21(2)16-23)31(44)41-33(4)11-12-33;1-14-9-16(3-5-19(14)24(33)34)18-11-21(30-8-7-26(27,28)29)23-31-12-22(32(23)13-18)17-4-6-20(25(35)36)15(2)10-17/h5-8,15-19,38H,9-14H2,1-4H3,(H,40,43)(H,41,44);3-6,9-13,30H,7-8H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyYWBCCMSJYVLFCI-UHFFFAOYSA-N
MW1101.16 g/mol
LogP13.26
Rot. Bonds16

About 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide

4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 162031308) has the molecular formula C60H58F6N8O6 and a molecular weight of 1101.16 g/mol. Its IUPAC name is 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide
PubChem CID162031308
Molecular FormulaC60H58F6N8O6
Molecular Weight1101.16 g/mol
Exact Mass1100.44
IUPAC Name4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5(C)CC5)c(C)c4)n3c2)ccc1C(=O)NC1(C)CC1.Cc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)O)c(C)c4)n3c2)ccc1C(=O)O
InChIInChI=1S/C34H36F3N5O2.C26H22F3N3O4/c1-20-15-22(5-7-25(20)30(43)40-32(3)9-10-32)24-17-27(38-14-13-34(35,36)37)29-39-18-28(42(29)19-24)23-6-8-26(21(2)16-23)31(44)41-33(4)11-12-33;1-14-9-16(3-5-19(14)24(33)34)18-11-21(30-8-7-26(27,28)29)23-31-12-22(32(23)13-18)17-4-6-20(25(35)36)15(2)10-17/h5-8,15-19,38H,9-14H2,1-4H3,(H,40,43)(H,41,44);3-6,9-13,30H,7-8H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyYWBCCMSJYVLFCI-UHFFFAOYSA-N
XLogP13.26
TPSA191.46 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001101.16
LogP ≤ 513.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide with MolForge

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Related Compounds

2-fluoro-N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 155527082
4''-(6-Imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
CID 10074709
2-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-5-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]benzoic acid
CID 76901415
US10087188, Example 26
CID 121455605
US10087188, Example 23
CID 121455635
US10087188, Example 24
CID 121455749
4-[[3-[8-(4-Tert-butylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]carbamoyl]benzoic acid
CID 90656833
4-[4-Amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]benzoic acid
CID 117704695
US10087188, Example 25
CID 121455658
US10214546, Example 88
CID 121464604
2-fluoro-N-[7-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609218
2-fluoro-N-[7-[3-(hydroxymethyl)phenyl]-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609266

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide?
The IUPAC name of 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide (CID 162031308) is 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide?
The canonical SMILES for 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide is Cc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5(C)CC5)c(C)c4)n3c2)ccc1C(=O)NC1(C)CC1.Cc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)O)c(C)c4)n3c2)ccc1C(=O)O.
What is the InChIKey of 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide?
The InChIKey is YWBCCMSJYVLFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F3N5O2.C26H22F3N3O4/c1-20-15-22(5-7-25(20)30(43)40-32(3)9-10-32)24-17-27(38-14-13-34(35,36)37)29-39-18-28(42(29)19-24)23-6-8-26(21(2)16-23)31(44)41-33(4)11-12-33;1-14-9-16(3-5-19(14)24(33)34)18-11-21(30-8-7-26(27,28)29)23-31-12-22(32(23)13-18)17-4-6-20(25(35)36)15(2)10-17/h5-8,15-19,38H,9-14H2,1-4H3,(H,40,43)(H,41,44);3-6,9-13,30H,7-8H2,1-2H3,(H,33,34)(H,35,36).
What are the key properties of 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide?
4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 1101.16 g/mol, XLogP of 13.26, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;2-methyl-N-(1-methylcyclopropyl)-4-[3-[3-methyl-4-[(1-methylcyclopropyl)carbamoyl]phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 162031308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).