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

C34H42F2N6O2 — CID 137376650

IUPACN-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide
SMILESCOc1cc(CF)c(C(=O)Nc2cc(-c3cc(CN4CCN(CC5CC5)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C34H42F2N6O2/c1-39-9-15-42(16-10-39)32-8-6-26(18-31(32)38-34(43)29-21-37-33(44-2)19-27(29)20-35)28-17-25(5-7-30(28)36)23-41-13-11-40(12-14-41)22-24-3-4-24/h5-8,17-19,21,24H,3-4,9-16,20,22-23H2,1-2H3,(H,38,43)
InChIKeyFQXDVEWSSAIYHL-UHFFFAOYSA-N
MW604.75 g/mol
LogP4.90
Rot. Bonds10

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

N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide (PubChem CID 137376650) has the molecular formula C34H42F2N6O2 and a molecular weight of 604.75 g/mol. Its IUPAC name is N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide
PubChem CID137376650
Molecular FormulaC34H42F2N6O2
Molecular Weight604.75 g/mol
Exact Mass604.33
IUPAC NameN-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide
SMILESCOc1cc(CF)c(C(=O)Nc2cc(-c3cc(CN4CCN(CC5CC5)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C34H42F2N6O2/c1-39-9-15-42(16-10-39)32-8-6-26(18-31(32)38-34(43)29-21-37-33(44-2)19-27(29)20-35)28-17-25(5-7-30(28)36)23-41-13-11-40(12-14-41)22-24-3-4-24/h5-8,17-19,21,24H,3-4,9-16,20,22-23H2,1-2H3,(H,38,43)
InChIKeyFQXDVEWSSAIYHL-UHFFFAOYSA-N
XLogP4.90
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.75
LogP ≤ 54.90
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]-4-(fluoromethyl)-6-methoxypyridine-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]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide (CID 137376650) is N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-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]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide is COc1cc(CF)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]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide?
The InChIKey is FQXDVEWSSAIYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F2N6O2/c1-39-9-15-42(16-10-39)32-8-6-26(18-31(32)38-34(43)29-21-37-33(44-2)19-27(29)20-35)28-17-25(5-7-30(28)36)23-41-13-11-40(12-14-41)22-24-3-4-24/h5-8,17-19,21,24H,3-4,9-16,20,22-23H2,1-2H3,(H,38,43).
What are the key properties of N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide?
N-[5-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorophenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide has a molecular weight of 604.75 g/mol, XLogP of 4.90, 10 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]-4-(fluoromethyl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 137376650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).