1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C24H23N7O3 — CID 58379570

IUPAC1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4cccc5[nH]ncc45)ccc3ncc21
InChIInChI=1S/C24H23N7O3/c1-29-20-12-25-19-6-5-17(15-3-2-4-18-16(15)11-26-28-18)27-22(19)23(20)31(24(29)34)14-7-9-30(10-8-14)21(33)13-32/h2-6,11-12,14,32H,7-10,13H2,1H3,(H,26,28)
InChIKeyOYXDADGCFDOKLT-UHFFFAOYSA-N
MW457.49 g/mol
LogP1.98
Rot. Bonds3

About 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379570) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379570
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4cccc5[nH]ncc45)ccc3ncc21
InChIInChI=1S/C24H23N7O3/c1-29-20-12-25-19-6-5-17(15-3-2-4-18-16(15)11-26-28-18)27-22(19)23(20)31(24(29)34)14-7-9-30(10-8-14)21(33)13-32/h2-6,11-12,14,32H,7-10,13H2,1H3,(H,26,28)
InChIKeyOYXDADGCFDOKLT-UHFFFAOYSA-N
XLogP1.98
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379570) is 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4cccc5[nH]ncc45)ccc3ncc21.
What is the InChIKey of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is OYXDADGCFDOKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-29-20-12-25-19-6-5-17(15-3-2-4-18-16(15)11-26-28-18)27-22(19)23(20)31(24(29)34)14-7-9-30(10-8-14)21(33)13-32/h2-6,11-12,14,32H,7-10,13H2,1H3,(H,26,28).
What are the key properties of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 457.49 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).