8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide

C31H32F3N5O2 — CID 138572924

IUPAC8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide
SMILESCOc1ccc(C2CCNCC2)c2cc(C(=O)Nc3ccc4c(C(F)(F)F)ncc(C5CCNCC5)c4c3)ncc12
InChIInChI=1S/C31H32F3N5O2/c1-41-28-5-4-21(18-6-10-35-11-7-18)24-15-27(37-17-26(24)28)30(40)39-20-2-3-22-23(14-20)25(19-8-12-36-13-9-19)16-38-29(22)31(32,33)34/h2-5,14-19,35-36H,6-13H2,1H3,(H,39,40)
InChIKeyFYBIYVZMPKLJRK-UHFFFAOYSA-N
MW563.62 g/mol
LogP6.00
Rot. Bonds5

About 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide

8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide (PubChem CID 138572924) has the molecular formula C31H32F3N5O2 and a molecular weight of 563.62 g/mol. Its IUPAC name is 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide
PubChem CID138572924
Molecular FormulaC31H32F3N5O2
Molecular Weight563.62 g/mol
Exact Mass563.25
IUPAC Name8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide
SMILESCOc1ccc(C2CCNCC2)c2cc(C(=O)Nc3ccc4c(C(F)(F)F)ncc(C5CCNCC5)c4c3)ncc12
InChIInChI=1S/C31H32F3N5O2/c1-41-28-5-4-21(18-6-10-35-11-7-18)24-15-27(37-17-26(24)28)30(40)39-20-2-3-22-23(14-20)25(19-8-12-36-13-9-19)16-38-29(22)31(32,33)34/h2-5,14-19,35-36H,6-13H2,1H3,(H,39,40)
InChIKeyFYBIYVZMPKLJRK-UHFFFAOYSA-N
XLogP6.00
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.62
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-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

8-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 4384722
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11567928
[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-3-methoxyphenyl]-2-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 16041121
4-{[7-({[4-(Aminomethyl)-3-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-Nmethylpyridine-2-carboxamide
CID 23585318
4-{[7-({[3-(Aminomethyl)-5-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-N-methylpyridine-2-carboxamide
CID 23585320
3-(2-isoquinolin-4-ylethynyl)-4-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 86567606
N-[4-[(1R,3R,5S)-3-amino-5-(trifluoromethyl)cyclohexyl]pyridin-3-yl]-6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
CID 46178529
N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 46178612
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methoxyphenyl)pyridine-2-carboxamide
CID 46179394
N-[4-[(1R,3R,4R,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 91937599
N-[2-(3-fluoro-4-methoxybenzoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]-2-pyridinecarboxamide
CID 24791086
N-(trans-4-(2-(8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl)cyclohexyl)isoquinoline-3-carboxamide
CID 44406647

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide?
The IUPAC name of 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide (CID 138572924) is 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide.
What is the SMILES notation for 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide?
The canonical SMILES for 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide is COc1ccc(C2CCNCC2)c2cc(C(=O)Nc3ccc4c(C(F)(F)F)ncc(C5CCNCC5)c4c3)ncc12.
What is the InChIKey of 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide?
The InChIKey is FYBIYVZMPKLJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N5O2/c1-41-28-5-4-21(18-6-10-35-11-7-18)24-15-27(37-17-26(24)28)30(40)39-20-2-3-22-23(14-20)25(19-8-12-36-13-9-19)16-38-29(22)31(32,33)34/h2-5,14-19,35-36H,6-13H2,1H3,(H,39,40).
What are the key properties of 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide?
8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide has a molecular weight of 563.62 g/mol, XLogP of 6.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide is sourced from PubChem (CID 138572924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).