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2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C34H35N7O5 — CID 53378357

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCn1c2ccccc2n2c3nc(N4CCN(C(=O)c5ccc6c(c5)OCO6)CC4)ccc3c(=O)c(C(=O)NCCN3CCCC3)c12
InChIInChI=1S/C34H35N7O5/c1-37-24-6-2-3-7-25(24)41-31-23(30(42)29(33(37)41)32(43)35-12-15-38-13-4-5-14-38)9-11-28(36-31)39-16-18-40(19-17-39)34(44)22-8-10-26-27(20-22)46-21-45-26/h2-3,6-11,20H,4-5,12-19,21H2,1H3,(H,35,43)
InChIKeyTZDYPNQOAMBGIR-UHFFFAOYSA-N
MW621.70 g/mol
LogP2.86
Rot. Bonds6

About 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 53378357) has the molecular formula C34H35N7O5 and a molecular weight of 621.70 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID53378357
Molecular FormulaC34H35N7O5
Molecular Weight621.70 g/mol
Exact Mass621.27
IUPAC Name2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCn1c2ccccc2n2c3nc(N4CCN(C(=O)c5ccc6c(c5)OCO6)CC4)ccc3c(=O)c(C(=O)NCCN3CCCC3)c12
InChIInChI=1S/C34H35N7O5/c1-37-24-6-2-3-7-25(24)41-31-23(30(42)29(33(37)41)32(43)35-12-15-38-13-4-5-14-38)9-11-28(36-31)39-16-18-40(19-17-39)34(44)22-8-10-26-27(20-22)46-21-45-26/h2-3,6-11,20H,4-5,12-19,21H2,1H3,(H,35,43)
InChIKeyTZDYPNQOAMBGIR-UHFFFAOYSA-N
XLogP2.86
TPSA113.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.70
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 53378357) is 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is Cn1c2ccccc2n2c3nc(N4CCN(C(=O)c5ccc6c(c5)OCO6)CC4)ccc3c(=O)c(C(=O)NCCN3CCCC3)c12.
What is the InChIKey of 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is TZDYPNQOAMBGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O5/c1-37-24-6-2-3-7-25(24)41-31-23(30(42)29(33(37)41)32(43)35-12-15-38-13-4-5-14-38)9-11-28(36-31)39-16-18-40(19-17-39)34(44)22-8-10-26-27(20-22)46-21-45-26/h2-3,6-11,20H,4-5,12-19,21H2,1H3,(H,35,43).
What are the key properties of 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 621.70 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 53378357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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