1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one

C23H25N7O2 — CID 58379592

IUPAC1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H25N7O2/c1-14-3-4-15(12-25-14)17-5-6-18-21(27-17)22-19(13-26-18)28(2)23(32)30(22)16-7-9-29(10-8-16)20(31)11-24/h3-6,12-13,16H,7-11,24H2,1-2H3
InChIKeyWOXZNIHCGOBWSW-UHFFFAOYSA-N
MW431.50 g/mol
LogP1.78
Rot. Bonds3

About 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379592) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379592
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H25N7O2/c1-14-3-4-15(12-25-14)17-5-6-18-21(27-17)22-19(13-26-18)28(2)23(32)30(22)16-7-9-29(10-8-16)20(31)11-24/h3-6,12-13,16H,7-11,24H2,1-2H3
InChIKeyWOXZNIHCGOBWSW-UHFFFAOYSA-N
XLogP1.78
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379592) is 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is WOXZNIHCGOBWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14-3-4-15(12-25-14)17-5-6-18-21(27-17)22-19(13-26-18)28(2)23(32)30(22)16-7-9-29(10-8-16)20(31)11-24/h3-6,12-13,16H,7-11,24H2,1-2H3.
What are the key properties of 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 431.50 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).