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

C22H22N8O — CID 58379526

IUPAC3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1
InChIInChI=1S/C22H22N8O/c1-28-7-5-15(6-8-28)30-20-18(29(2)22(30)31)12-23-17-4-3-16(26-19(17)20)13-9-14-11-25-27-21(14)24-10-13/h3-4,9-12,15H,5-8H2,1-2H3,(H,24,25,27)
InChIKeyBCLLEOJYENBBDN-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.49
Rot. Bonds2

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

3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379526) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379526
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1
InChIInChI=1S/C22H22N8O/c1-28-7-5-15(6-8-28)30-20-18(29(2)22(30)31)12-23-17-4-3-16(26-19(17)20)13-9-14-11-25-27-21(14)24-10-13/h3-4,9-12,15H,5-8H2,1-2H3,(H,24,25,27)
InChIKeyBCLLEOJYENBBDN-UHFFFAOYSA-N
XLogP2.49
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379526) is 3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1.
What is the InChIKey of 3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is BCLLEOJYENBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-28-7-5-15(6-8-28)30-20-18(29(2)22(30)31)12-23-17-4-3-16(26-19(17)20)13-9-14-11-25-27-21(14)24-10-13/h3-4,9-12,15H,5-8H2,1-2H3,(H,24,25,27).
What are the key properties of 3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 414.47 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).