3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide

C26H24ClF3N4O2 — CID 54670730

IUPAC3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(C(F)(F)F)nc3)cc3c2c(Cl)cn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C26H24ClF3N4O2/c1-13(2)34-12-20(27)23-18(24(35)32-11-19-14(3)7-15(4)33-25(19)36)8-17(9-21(23)34)16-5-6-22(31-10-16)26(28,29)30/h5-10,12-13H,11H2,1-4H3,(H,32,35)(H,33,36)
InChIKeyJKKOJOPINAYBIK-UHFFFAOYSA-N
MW516.95 g/mol
LogP6.19
Rot. Bonds5

About 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide

3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide (PubChem CID 54670730) has the molecular formula C26H24ClF3N4O2 and a molecular weight of 516.95 g/mol. Its IUPAC name is 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide
PubChem CID54670730
Molecular FormulaC26H24ClF3N4O2
Molecular Weight516.95 g/mol
Exact Mass516.15
IUPAC Name3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(C(F)(F)F)nc3)cc3c2c(Cl)cn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C26H24ClF3N4O2/c1-13(2)34-12-20(27)23-18(24(35)32-11-19-14(3)7-15(4)33-25(19)36)8-17(9-21(23)34)16-5-6-22(31-10-16)26(28,29)30/h5-10,12-13H,11H2,1-4H3,(H,32,35)(H,33,36)
InChIKeyJKKOJOPINAYBIK-UHFFFAOYSA-N
XLogP6.19
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.95
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide with MolForge

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Related Compounds

3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
CID 71269175
6-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
CID 67466111
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(6-pyrrolidin-1-yl-3-pyridinyl)indole-4-carboxamide
CID 54670447
4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-ylindol-6-yl]benzoic acid
CID 54670078
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-fluoro-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
CID 54671394
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
CID 67468820
tert-butyl 4-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-ylindol-6-yl]-2-pyridinyl]-3-methylpiperazine-1-carboxylate
CID 71269601
6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
CID 122448542
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]indole-4-carboxamide
CID 54670538
4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-yl-6-[3-[1-(sulfinoamino)ethyl]phenyl]indole
CID 118481862
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide
CID 71274175
6-[6-[4-[2-[2-(1-adamantyl)ethylamino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
CID 139413692

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide?
The IUPAC name of 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide (CID 54670730) is 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C(F)(F)F)nc3)cc3c2c(Cl)cn3C(C)C)c(=O)[nH]1.
What is the InChIKey of 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide?
The InChIKey is JKKOJOPINAYBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N4O2/c1-13(2)34-12-20(27)23-18(24(35)32-11-19-14(3)7-15(4)33-25(19)36)8-17(9-21(23)34)16-5-6-22(31-10-16)26(28,29)30/h5-10,12-13H,11H2,1-4H3,(H,32,35)(H,33,36).
What are the key properties of 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide?
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide has a molecular weight of 516.95 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(trifluoromethyl)-3-pyridinyl]indole-4-carboxamide is sourced from PubChem (CID 54670730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).