1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C23H22N8O3 — CID 58379601

IUPAC1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4ccnc5[nH]ncc45)ccc3ncc21
InChIInChI=1S/C23H22N8O3/c1-29-18-11-25-17-3-2-16(14-4-7-24-22-15(14)10-26-28-22)27-20(17)21(18)31(23(29)34)13-5-8-30(9-6-13)19(33)12-32/h2-4,7,10-11,13,32H,5-6,8-9,12H2,1H3,(H,24,26,28)
InChIKeyBQFCMZRCBOMMDE-UHFFFAOYSA-N
MW458.48 g/mol
LogP1.38
Rot. Bonds3

About 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379601) has the molecular formula C23H22N8O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379601
Molecular FormulaC23H22N8O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4ccnc5[nH]ncc45)ccc3ncc21
InChIInChI=1S/C23H22N8O3/c1-29-18-11-25-17-3-2-16(14-4-7-24-22-15(14)10-26-28-22)27-20(17)21(18)31(23(29)34)13-5-8-30(9-6-13)19(33)12-32/h2-4,7,10-11,13,32H,5-6,8-9,12H2,1H3,(H,24,26,28)
InChIKeyBQFCMZRCBOMMDE-UHFFFAOYSA-N
XLogP1.38
TPSA134.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379601) is 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4ccnc5[nH]ncc45)ccc3ncc21.
What is the InChIKey of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is BQFCMZRCBOMMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O3/c1-29-18-11-25-17-3-2-16(14-4-7-24-22-15(14)10-26-28-22)27-20(17)21(18)31(23(29)34)13-5-8-30(9-6-13)19(33)12-32/h2-4,7,10-11,13,32H,5-6,8-9,12H2,1H3,(H,24,26,28).
What are the key properties of 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 458.48 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).