2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one

C17H23N7O — CID 167497585

IUPAC2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nn(C(C)C)c(C)c1-n1cc2c(=O)[nH]c(N3CCCC3)nc2n1
InChIInChI=1S/C17H23N7O/c1-10(2)24-12(4)14(11(3)20-24)23-9-13-15(21-23)18-17(19-16(13)25)22-7-5-6-8-22/h9-10H,5-8H2,1-4H3,(H,18,19,21,25)
InChIKeyIUAHNUWBJIMANA-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.10
Rot. Bonds3

About 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one

2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 167497585) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID167497585
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nn(C(C)C)c(C)c1-n1cc2c(=O)[nH]c(N3CCCC3)nc2n1
InChIInChI=1S/C17H23N7O/c1-10(2)24-12(4)14(11(3)20-24)23-9-13-15(21-23)18-17(19-16(13)25)22-7-5-6-8-22/h9-10H,5-8H2,1-4H3,(H,18,19,21,25)
InChIKeyIUAHNUWBJIMANA-UHFFFAOYSA-N
XLogP2.10
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-pyrrolidin-1-yl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 166197479
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
2-(4-bromo-2,6-dimethylphenyl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 167497580
6-(4-methylphenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135994221
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135473139
7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 156711705
8-fluoro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 136617678
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 112569358
2-(azepan-1-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764405
10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione
CID 135412907
2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137160812

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 167497585) is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one is Cc1nn(C(C)C)c(C)c1-n1cc2c(=O)[nH]c(N3CCCC3)nc2n1.
What is the InChIKey of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is IUAHNUWBJIMANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10(2)24-12(4)14(11(3)20-24)23-9-13-15(21-23)18-17(19-16(13)25)22-7-5-6-8-22/h9-10H,5-8H2,1-4H3,(H,18,19,21,25).
What are the key properties of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 341.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 167497585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).