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

C19H17N7O2 — CID 77271148

IUPAC1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc5[nH]ncc5c4)nc3c21
InChIInChI=1S/C19H17N7O2/c1-10(9-27)26-17-15(25(2)19(26)28)8-20-14-4-3-13(23-16(14)17)11-5-12-7-22-24-18(12)21-6-11/h3-8,10,27H,9H2,1-2H3,(H,21,22,24)
InChIKeyIICWDKFRPWDIQG-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.77
Rot. Bonds3

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

1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 77271148) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID77271148
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc5[nH]ncc5c4)nc3c21
InChIInChI=1S/C19H17N7O2/c1-10(9-27)26-17-15(25(2)19(26)28)8-20-14-4-3-13(23-16(14)17)11-5-12-7-22-24-18(12)21-6-11/h3-8,10,27H,9H2,1-2H3,(H,21,22,24)
InChIKeyIICWDKFRPWDIQG-UHFFFAOYSA-N
XLogP1.77
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 77271148) is 1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is CC(CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc5[nH]ncc5c4)nc3c21.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is IICWDKFRPWDIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-10(9-27)26-17-15(25(2)19(26)28)8-20-14-4-3-13(23-16(14)17)11-5-12-7-22-24-18(12)21-6-11/h3-8,10,27H,9H2,1-2H3,(H,21,22,24).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 375.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 77271148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).