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

C31H36FN5O3 — CID 123535234

IUPAC1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccncc3F)CC2)c2ccccc12
InChIInChI=1S/C31H36FN5O3/c1-19-15-28(40-4)25(30(38)35-19)16-34-31(39)29-21(3)37(27-8-6-5-7-24(27)29)20(2)22-10-13-36(14-11-22)18-23-9-12-33-17-26(23)32/h5-9,12,15,17,20,22H,10-11,13-14,16,18H2,1-4H3,(H,34,39)(H,35,38)
InChIKeyYZIDAMHRQQPQCC-UHFFFAOYSA-N
MW545.66 g/mol
LogP4.89
Rot. Bonds8

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

1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 123535234) has the molecular formula C31H36FN5O3 and a molecular weight of 545.66 g/mol. Its IUPAC name is 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID123535234
Molecular FormulaC31H36FN5O3
Molecular Weight545.66 g/mol
Exact Mass545.28
IUPAC Name1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccncc3F)CC2)c2ccccc12
InChIInChI=1S/C31H36FN5O3/c1-19-15-28(40-4)25(30(38)35-19)16-34-31(39)29-21(3)37(27-8-6-5-7-24(27)29)20(2)22-10-13-36(14-11-22)18-23-9-12-33-17-26(23)32/h5-9,12,15,17,20,22H,10-11,13-14,16,18H2,1-4H3,(H,34,39)(H,35,38)
InChIKeyYZIDAMHRQQPQCC-UHFFFAOYSA-N
XLogP4.89
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.66
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Lirametostat
CID 78320408
5-Fluoro CUMYL-PICA
CID 117650397
Cpi-169
CID 71712226
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
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507812
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507824
(s)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1h-indole-3-carboxamide
CID 125181260
5-Fluoro-AMB-PICA
CID 119058037
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 123535234) is 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccncc3F)CC2)c2ccccc12.
What is the InChIKey of 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is YZIDAMHRQQPQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN5O3/c1-19-15-28(40-4)25(30(38)35-19)16-34-31(39)29-21(3)37(27-8-6-5-7-24(27)29)20(2)22-10-13-36(14-11-22)18-23-9-12-33-17-26(23)32/h5-9,12,15,17,20,22H,10-11,13-14,16,18H2,1-4H3,(H,34,39)(H,35,38).
What are the key properties of 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 545.66 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(3-fluoro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 123535234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).