5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C25H29N7O — CID 122523542

IUPAC5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCNC(=O)c1c(NC2CC2)c2ccc(N3CCCN(C)CC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C25H29N7O/c1-26-25(33)21-22(27-16-8-9-16)17-10-11-20(31-13-5-12-30(2)14-15-31)29-23(17)32-19-7-4-3-6-18(19)28-24(21)32/h3-4,6-7,10-11,16,27H,5,8-9,12-15H2,1-2H3,(H,26,33)
InChIKeyNZZCHZLIOHRXRQ-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.11
Rot. Bonds4

About 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 122523542) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID122523542
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCNC(=O)c1c(NC2CC2)c2ccc(N3CCCN(C)CC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C25H29N7O/c1-26-25(33)21-22(27-16-8-9-16)17-10-11-20(31-13-5-12-30(2)14-15-31)29-23(17)32-19-7-4-3-6-18(19)28-24(21)32/h3-4,6-7,10-11,16,27H,5,8-9,12-15H2,1-2H3,(H,26,33)
InChIKeyNZZCHZLIOHRXRQ-UHFFFAOYSA-N
XLogP3.11
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 122523542) is 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CNC(=O)c1c(NC2CC2)c2ccc(N3CCCN(C)CC3)nc2n2c1nc1ccccc12.
What is the InChIKey of 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is NZZCHZLIOHRXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-26-25(33)21-22(27-16-8-9-16)17-10-11-20(31-13-5-12-30(2)14-15-31)29-23(17)32-19-7-4-3-6-18(19)28-24(21)32/h3-4,6-7,10-11,16,27H,5,8-9,12-15H2,1-2H3,(H,26,33).
What are the key properties of 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 443.56 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 122523542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).