1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C23H27N7O3 — CID 58379489

IUPAC1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H27N7O3/c1-23(2,33)21(31)29-9-7-15(8-10-29)30-20-18(28(4)22(30)32)12-24-17-6-5-16(26-19(17)20)14-11-25-27(3)13-14/h5-6,11-13,15,33H,7-10H2,1-4H3
InChIKeyFHPOLGKZSQRHER-UHFFFAOYSA-N
MW449.52 g/mol
LogP1.62
Rot. Bonds3

About 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379489) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379489
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H27N7O3/c1-23(2,33)21(31)29-9-7-15(8-10-29)30-20-18(28(4)22(30)32)12-24-17-6-5-16(26-19(17)20)14-11-25-27(3)13-14/h5-6,11-13,15,33H,7-10H2,1-4H3
InChIKeyFHPOLGKZSQRHER-UHFFFAOYSA-N
XLogP1.62
TPSA111.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379489) is 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is FHPOLGKZSQRHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-23(2,33)21(31)29-9-7-15(8-10-29)30-20-18(28(4)22(30)32)12-24-17-6-5-16(26-19(17)20)14-11-25-27(3)13-14/h5-6,11-13,15,33H,7-10H2,1-4H3.
What are the key properties of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 449.52 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).