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

C58H54F6N8O6 — CID 157391324

IUPAC4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide
SMILESCc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3c2)ccc1C(=O)NC1CC1.Cc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)O)c(C)c4)n3c2)ccc1C(=O)O
InChIInChI=1S/C32H32F3N5O2.C26H22F3N3O4/c1-18-13-20(3-9-25(18)30(41)38-23-5-6-23)22-15-27(36-12-11-32(33,34)35)29-37-16-28(40(29)17-22)21-4-10-26(19(2)14-21)31(42)39-24-7-8-24;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/h3-4,9-10,13-17,23-24,36H,5-8,11-12H2,1-2H3,(H,38,41)(H,39,42);3-6,9-13,30H,7-8H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyBMARIHPLVLEGQX-UHFFFAOYSA-N
MW1073.11 g/mol
LogP12.48
Rot. Bonds16

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

4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide (PubChem CID 157391324) has the molecular formula C58H54F6N8O6 and a molecular weight of 1073.11 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;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide
PubChem CID157391324
Molecular FormulaC58H54F6N8O6
Molecular Weight1073.11 g/mol
Exact Mass1072.41
IUPAC Name4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide
SMILESCc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3c2)ccc1C(=O)NC1CC1.Cc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)O)c(C)c4)n3c2)ccc1C(=O)O
InChIInChI=1S/C32H32F3N5O2.C26H22F3N3O4/c1-18-13-20(3-9-25(18)30(41)38-23-5-6-23)22-15-27(36-12-11-32(33,34)35)29-37-16-28(40(29)17-22)21-4-10-26(19(2)14-21)31(42)39-24-7-8-24;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/h3-4,9-10,13-17,23-24,36H,5-8,11-12H2,1-2H3,(H,38,41)(H,39,42);3-6,9-13,30H,7-8H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyBMARIHPLVLEGQX-UHFFFAOYSA-N
XLogP12.48
TPSA191.46 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001073.11
LogP ≤ 512.48
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;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide 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

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
US10214546, Example 159
CID 121456519
US10214546, Example 182
CID 121464789
4-[[3-[8-(4-Tert-butylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]carbamoyl]benzoic acid
CID 90656833
4-[6-[4-(4-Methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzoic acid
CID 145972396
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 103
CID 121456503

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;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide?
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;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide (CID 157391324) is 4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide.
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;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide?
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;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide is Cc1cc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3c2)ccc1C(=O)NC1CC1.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;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide?
The InChIKey is BMARIHPLVLEGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O2.C26H22F3N3O4/c1-18-13-20(3-9-25(18)30(41)38-23-5-6-23)22-15-27(36-12-11-32(33,34)35)29-37-16-28(40(29)17-22)21-4-10-26(19(2)14-21)31(42)39-24-7-8-24;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/h3-4,9-10,13-17,23-24,36H,5-8,11-12H2,1-2H3,(H,38,41)(H,39,42);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;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide?
4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide has a molecular weight of 1073.11 g/mol, XLogP of 12.48, 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;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide is sourced from PubChem (CID 157391324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).