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

C24H29N7O2 — CID 58379649

IUPAC3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(C)C(=O)CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1
InChIInChI=1S/C24H29N7O2/c1-15(2)21(32)14-30-9-7-17(8-10-30)31-23-20(29(4)24(31)33)12-25-19-6-5-18(27-22(19)23)16-11-26-28(3)13-16/h5-6,11-13,15,17H,7-10,14H2,1-4H3
InChIKeyLFGJNQWUGYATOK-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.55
Rot. Bonds5

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

3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379649) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379649
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(C)C(=O)CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1
InChIInChI=1S/C24H29N7O2/c1-15(2)21(32)14-30-9-7-17(8-10-30)31-23-20(29(4)24(31)33)12-25-19-6-5-18(27-22(19)23)16-11-26-28(3)13-16/h5-6,11-13,15,17H,7-10,14H2,1-4H3
InChIKeyLFGJNQWUGYATOK-UHFFFAOYSA-N
XLogP2.55
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379649) is 3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is CC(C)C(=O)CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1.
What is the InChIKey of 3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is LFGJNQWUGYATOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-15(2)21(32)14-30-9-7-17(8-10-30)31-23-20(29(4)24(31)33)12-25-19-6-5-18(27-22(19)23)16-11-26-28(3)13-16/h5-6,11-13,15,17H,7-10,14H2,1-4H3.
What are the key properties of 3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 447.54 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).