N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide

C32H36F3N5O3 — CID 123333508

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccnc(C(F)(F)F)c3)CC2)c2ccccc12
InChIInChI=1S/C32H36F3N5O3/c1-19-15-27(43-4)25(30(41)38-19)17-37-31(42)29-21(3)40(26-8-6-5-7-24(26)29)20(2)23-10-13-39(14-11-23)18-22-9-12-36-28(16-22)32(33,34)35/h5-9,12,15-16,20,23H,10-11,13-14,17-18H2,1-4H3,(H,37,42)(H,38,41)
InChIKeyCRQLNESFSTYEID-UHFFFAOYSA-N
MW595.67 g/mol
LogP5.77
Rot. Bonds8

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123333508) has the molecular formula C32H36F3N5O3 and a molecular weight of 595.67 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide
PubChem CID123333508
Molecular FormulaC32H36F3N5O3
Molecular Weight595.67 g/mol
Exact Mass595.28
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccnc(C(F)(F)F)c3)CC2)c2ccccc12
InChIInChI=1S/C32H36F3N5O3/c1-19-15-27(43-4)25(30(41)38-19)17-37-31(42)29-21(3)40(26-8-6-5-7-24(26)29)20(2)23-10-13-39(14-11-23)18-22-9-12-36-28(16-22)32(33,34)35/h5-9,12,15-16,20,23H,10-11,13-14,17-18H2,1-4H3,(H,37,42)(H,38,41)
InChIKeyCRQLNESFSTYEID-UHFFFAOYSA-N
XLogP5.77
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.67
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide with MolForge

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Related Compounds

Lirametostat
CID 78320408
Cpi-169
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N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 73442743
(R)-1-(1-(1-(2,2-difluoropropyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide
CID 117894970
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 117807842
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methyl-3-indolyl)-2-oxoacetamide
CID 6604789
(3R,4S)-N-[(1-benzyl-4-fluoroindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 44479308
(3R,4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 44479566
(3R,4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-3-ylmethyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 56663528
(3R,4S)-N-cyclopropyl-N-[[4-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 56670429
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide
CID 122491341
N-[(4-ethylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589853

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123333508) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccnc(C(F)(F)F)c3)CC2)c2ccccc12.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
The InChIKey is CRQLNESFSTYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N5O3/c1-19-15-27(43-4)25(30(41)38-19)17-37-31(42)29-21(3)40(26-8-6-5-7-24(26)29)20(2)23-10-13-39(14-11-23)18-22-9-12-36-28(16-22)32(33,34)35/h5-9,12,15-16,20,23H,10-11,13-14,17-18H2,1-4H3,(H,37,42)(H,38,41).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 595.67 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123333508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).