N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide

C30H26Cl2F3N3O — CID 56669074

IUPACN-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2cnccc2c1
InChIInChI=1S/C30H26Cl2F3N3O/c31-26-8-5-22(16-27(26)32)28(37-29(39)23-3-4-24-17-36-12-9-21(24)15-23)20-10-13-38(14-11-20)18-19-1-6-25(7-2-19)30(33,34)35/h1-9,12,15-17,20,28H,10-11,13-14,18H2,(H,37,39)/t28-/m1/s1
InChIKeyYWOPAHYTILKORW-MUUNZHRXSA-N
MW572.46 g/mol
LogP7.94
Rot. Bonds6

About N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide

N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide (PubChem CID 56669074) has the molecular formula C30H26Cl2F3N3O and a molecular weight of 572.46 g/mol. Its IUPAC name is N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide
PubChem CID56669074
Molecular FormulaC30H26Cl2F3N3O
Molecular Weight572.46 g/mol
Exact Mass571.14
IUPAC NameN-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2cnccc2c1
InChIInChI=1S/C30H26Cl2F3N3O/c31-26-8-5-22(16-27(26)32)28(37-29(39)23-3-4-24-17-36-12-9-21(24)15-23)20-10-13-38(14-11-20)18-19-1-6-25(7-2-19)30(33,34)35/h1-9,12,15-17,20,28H,10-11,13-14,18H2,(H,37,39)/t28-/m1/s1
InChIKeyYWOPAHYTILKORW-MUUNZHRXSA-N
XLogP7.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.46
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide (CID 56669074) is N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide is O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2cnccc2c1.
What is the InChIKey of N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide?
The InChIKey is YWOPAHYTILKORW-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H26Cl2F3N3O/c31-26-8-5-22(16-27(26)32)28(37-29(39)23-3-4-24-17-36-12-9-21(24)15-23)20-10-13-38(14-11-20)18-19-1-6-25(7-2-19)30(33,34)35/h1-9,12,15-17,20,28H,10-11,13-14,18H2,(H,37,39)/t28-/m1/s1.
What are the key properties of N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide?
N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide has a molecular weight of 572.46 g/mol, XLogP of 7.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 56669074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).