4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one

C20H21N7O — CID 12988793

IUPAC4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one
SMILESCN1CCN(c2ccc3nc(-c4c(N)c5ccncc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C20H21N7O/c1-26-6-8-27(9-7-26)12-2-3-14-15(10-12)24-19(23-14)17-18(21)13-4-5-22-11-16(13)25-20(17)28/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H3,21,25,28)
InChIKeyCSGDFNSJHVTVHD-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.80
Rot. Bonds2

About 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one

4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one (PubChem CID 12988793) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one
PubChem CID12988793
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one
SMILESCN1CCN(c2ccc3nc(-c4c(N)c5ccncc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C20H21N7O/c1-26-6-8-27(9-7-26)12-2-3-14-15(10-12)24-19(23-14)17-18(21)13-4-5-22-11-16(13)25-20(17)28/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H3,21,25,28)
InChIKeyCSGDFNSJHVTVHD-UHFFFAOYSA-N
XLogP1.80
TPSA106.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one?
The IUPAC name of 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one (CID 12988793) is 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one is CN1CCN(c2ccc3nc(-c4c(N)c5ccncc5[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one?
The InChIKey is CSGDFNSJHVTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-26-6-8-27(9-7-26)12-2-3-14-15(10-12)24-19(23-14)17-18(21)13-4-5-22-11-16(13)25-20(17)28/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H3,21,25,28).
What are the key properties of 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one?
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one has a molecular weight of 375.44 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 12988793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).