N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid

C45H37ClF3N5O4 — CID 159103346

IUPACN-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
SMILESCC(=O)c1cc(C2CC2)cnc1N(C(=O)C(F)(F)F)c1ccc2[nH]ccc2c1.O=C(O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2Cc2cccc(Cl)c2)c1
InChIInChI=1S/C25H21ClN2O2.C20H16F3N3O2/c26-21-3-1-2-17(11-21)15-28-9-8-19-10-16(4-7-24(19)28)12-23-22(25(29)30)13-20(14-27-23)18-5-6-18;1-11(27)16-9-14(12-2-3-12)10-25-18(16)26(19(28)20(21,22)23)15-4-5-17-13(8-15)6-7-24-17/h1-4,7-11,13-14,18H,5-6,12,15H2,(H,29,30);4-10,12,24H,2-3H2,1H3
InChIKeyKDOHVMFSUZRVLE-UHFFFAOYSA-N
MW804.27 g/mol
LogP10.77
Rot. Bonds10

About N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid

N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid (PubChem CID 159103346) has the molecular formula C45H37ClF3N5O4 and a molecular weight of 804.27 g/mol. Its IUPAC name is N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid.

Molecular Properties

Compound NameN-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
PubChem CID159103346
Molecular FormulaC45H37ClF3N5O4
Molecular Weight804.27 g/mol
Exact Mass803.25
IUPAC NameN-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
SMILESCC(=O)c1cc(C2CC2)cnc1N(C(=O)C(F)(F)F)c1ccc2[nH]ccc2c1.O=C(O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2Cc2cccc(Cl)c2)c1
InChIInChI=1S/C25H21ClN2O2.C20H16F3N3O2/c26-21-3-1-2-17(11-21)15-28-9-8-19-10-16(4-7-24(19)28)12-23-22(25(29)30)13-20(14-27-23)18-5-6-18;1-11(27)16-9-14(12-2-3-12)10-25-18(16)26(19(28)20(21,22)23)15-4-5-17-13(8-15)6-7-24-17/h1-4,7-11,13-14,18H,5-6,12,15H2,(H,29,30);4-10,12,24H,2-3H2,1H3
InChIKeyKDOHVMFSUZRVLE-UHFFFAOYSA-N
XLogP10.77
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.27
LogP ≤ 510.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid 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

5-[2-[[5-[(5-cyclopropyl-3-methoxycarbonyl-2-pyridinyl)amino]-1H-indol-2-yl]methoxy]cyclopropyl]-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid
CID 138501307
5-cyclopropyl-2-[[1-[(3-methylphenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 144618959
2-[[1-[(4-chlorophenyl)methyl]indol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid;ethane;methyl 5-cyclopropyl-2-[1H-indol-5-yl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 144619015
5-cyclopropyl-2-[[1-[(4-methylphenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methane;methyl 5-cyclopropyl-2-[1H-indol-5-yl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 144619020
2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[1H-indol-5-yl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 144619040
5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 144619060
2-[[1-[[3-[[(1S)-2-[6-[(1-benzylindol-5-yl)amino]-5-(trifluoromethylsulfonylcarbamoyl)pyridin-3-yl]cyclopropyl]methyl]phenyl]methyl]indol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid
CID 144619066
2-[[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]-5-[(2S)-2-[[5-[(5-cyclopropyl-3-methoxycarbonylpyridin-2-yl)amino]-1H-indol-2-yl]methyl]cyclopropyl]pyridine-3-carboxylic acid
CID 144619103
2-[[1-[(2-chlorophenyl)methyl]indol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 144619135
2-[[1-[(4-chlorophenyl)methyl]indol-5-yl]amino]-5-[2-[[5-[(5-cyclopropyl-3-methoxycarbonyl-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]-1H-indol-2-yl]methyl]cyclopropyl]pyridine-3-carboxylic acid
CID 153120366
5-[2-[[5-[(5-cyclopropyl-3-methoxycarbonyl-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]-1H-indol-2-yl]methyl]cyclopropyl]-2-[[1-[(4-methylphenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid
CID 153669879
N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid
CID 157123178

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid?
The IUPAC name of N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid (CID 159103346) is N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid.
What is the SMILES notation for N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid?
The canonical SMILES for N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid is CC(=O)c1cc(C2CC2)cnc1N(C(=O)C(F)(F)F)c1ccc2[nH]ccc2c1.O=C(O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2Cc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid?
The InChIKey is KDOHVMFSUZRVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2.C20H16F3N3O2/c26-21-3-1-2-17(11-21)15-28-9-8-19-10-16(4-7-24(19)28)12-23-22(25(29)30)13-20(14-27-23)18-5-6-18;1-11(27)16-9-14(12-2-3-12)10-25-18(16)26(19(28)20(21,22)23)15-4-5-17-13(8-15)6-7-24-17/h1-4,7-11,13-14,18H,5-6,12,15H2,(H,29,30);4-10,12,24H,2-3H2,1H3.
What are the key properties of N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid?
N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid has a molecular weight of 804.27 g/mol, XLogP of 10.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;2-[[1-[(3-chlorophenyl)methyl]indol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid is sourced from PubChem (CID 159103346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).