4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

C23H24N6O2 — CID 166234129

IUPAC4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C(=O)N2CCN(c3cccc4cnccc34)CC2C)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C23H24N6O2/c1-14-11-18(20-21(25-14)27(3)26-22(20)30)23(31)29-10-9-28(13-15(29)2)19-6-4-5-16-12-24-8-7-17(16)19/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,26,30)
InChIKeyLPOIDJQWQFYZBE-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.47
Rot. Bonds2

About 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 166234129) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID166234129
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C(=O)N2CCN(c3cccc4cnccc34)CC2C)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C23H24N6O2/c1-14-11-18(20-21(25-14)27(3)26-22(20)30)23(31)29-10-9-28(13-15(29)2)19-6-4-5-16-12-24-8-7-17(16)19/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,26,30)
InChIKeyLPOIDJQWQFYZBE-UHFFFAOYSA-N
XLogP2.47
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one with MolForge

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Related Compounds

3-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-6-(trifluoromethyl)piperidin-2-one
CID 154839340
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone
CID 138056691
N-[3-[(dimethylamino)methyl]phenyl]-4-isoquinolin-5-yl-2-methylpiperazine-1-carboxamide
CID 166233945
5-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 94873112
1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one
CID 95349437
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 120749362
5-(3-methyl-1,4-diazepan-1-yl)isoquinoline
CID 64945525
5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one
CID 138046695
1-(isoquinoline-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113249
5-pyrrolidin-1-ylisoquinoline
CID 82582558
5-(3-tert-butylpiperazin-1-yl)isoquinoline
CID 64924272
(4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 162628135

Frequently Asked Questions

What is the IUPAC name of 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 166234129) is 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C(=O)N2CCN(c3cccc4cnccc34)CC2C)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is LPOIDJQWQFYZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-11-18(20-21(25-14)27(3)26-22(20)30)23(31)29-10-9-28(13-15(29)2)19-6-4-5-16-12-24-8-7-17(16)19/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,26,30).
What are the key properties of 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 416.49 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 166234129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).