N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

C34H40F4N6O2 — CID 137376466

IUPACN-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCN(CC5CC5)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C34H40F4N6O2/c1-41-9-15-44(16-10-41)31-8-6-25(18-30(31)40-33(45)27-20-39-32(46-2)19-28(27)34(36,37)38)26-17-24(5-7-29(26)35)22-43-13-11-42(12-14-43)21-23-3-4-23/h5-8,17-20,23H,3-4,9-16,21-22H2,1-2H3,(H,40,45)
InChIKeyHHZIAOCNJDXBOK-UHFFFAOYSA-N
MW640.73 g/mol
LogP5.45
Rot. Bonds9

About N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 137376466) has the molecular formula C34H40F4N6O2 and a molecular weight of 640.73 g/mol. Its IUPAC name is N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID137376466
Molecular FormulaC34H40F4N6O2
Molecular Weight640.73 g/mol
Exact Mass640.31
IUPAC NameN-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCN(CC5CC5)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C34H40F4N6O2/c1-41-9-15-44(16-10-41)31-8-6-25(18-30(31)40-33(45)27-20-39-32(46-2)19-28(27)34(36,37)38)26-17-24(5-7-29(26)35)22-43-13-11-42(12-14-43)21-23-3-4-23/h5-8,17-20,23H,3-4,9-16,21-22H2,1-2H3,(H,40,45)
InChIKeyHHZIAOCNJDXBOK-UHFFFAOYSA-N
XLogP5.45
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.73
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (CID 137376466) is N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCN(CC5CC5)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1.
What is the InChIKey of N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HHZIAOCNJDXBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F4N6O2/c1-41-9-15-44(16-10-41)31-8-6-25(18-30(31)40-33(45)27-20-39-32(46-2)19-28(27)34(36,37)38)26-17-24(5-7-29(26)35)22-43-13-11-42(12-14-43)21-23-3-4-23/h5-8,17-20,23H,3-4,9-16,21-22H2,1-2H3,(H,40,45).
What are the key properties of N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 640.73 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 137376466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).