[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C24H27N5O3 — CID 55522948

IUPAC[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)c12
InChIInChI=1S/C24H27N5O3/c1-16-21-18(15-19(17-7-4-3-5-8-17)25-22(21)27(2)26-16)23(30)28-10-12-29(13-11-28)24(31)20-9-6-14-32-20/h3-5,7-8,15,20H,6,9-14H2,1-2H3
InChIKeyGKQFHRSVMFEFIL-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.41
Rot. Bonds3

About [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 55522948) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID55522948
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)c12
InChIInChI=1S/C24H27N5O3/c1-16-21-18(15-19(17-7-4-3-5-8-17)25-22(21)27(2)26-16)23(30)28-10-12-29(13-11-28)24(31)20-9-6-14-32-20/h3-5,7-8,15,20H,6,9-14H2,1-2H3
InChIKeyGKQFHRSVMFEFIL-UHFFFAOYSA-N
XLogP2.41
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349357
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55956354
(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 34484289
azepan-1-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44823238
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55501194
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396591
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119396590
1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 44822938
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821447
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 60510310
5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 154836359
[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 128848800

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 55522948) is [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)c12.
What is the InChIKey of [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is GKQFHRSVMFEFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-21-18(15-19(17-7-4-3-5-8-17)25-22(21)27(2)26-16)23(30)28-10-12-29(13-11-28)24(31)20-9-6-14-32-20/h3-5,7-8,15,20H,6,9-14H2,1-2H3.
What are the key properties of [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 433.51 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 55522948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).