5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C18H23N5O2 — CID 135879468

IUPAC5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCN(CCC)c1nc2c(-c3cccc(O)c3)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C18H23N5O2/c1-4-9-23(10-5-2)18-19-15-14(12-7-6-8-13(24)11-12)21-22(3)16(15)17(25)20-18/h6-8,11,24H,4-5,9-10H2,1-3H3,(H,19,20,25)
InChIKeyHXRPRNYDUQMSFK-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.66
Rot. Bonds6

About 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135879468) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135879468
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCN(CCC)c1nc2c(-c3cccc(O)c3)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C18H23N5O2/c1-4-9-23(10-5-2)18-19-15-14(12-7-6-8-13(24)11-12)21-22(3)16(15)17(25)20-18/h6-8,11,24H,4-5,9-10H2,1-3H3,(H,19,20,25)
InChIKeyHXRPRNYDUQMSFK-UHFFFAOYSA-N
XLogP2.66
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-6-((4-Hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)methyl)-3-(3-hydroxyphenyl)-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 134451182
1,6-Dihydro-5-(2-hydroxyphenyl)-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135546517
5-(4-hydroxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135425148
5-[1-(2,5-Dimethoxyphenyl)ethylamino]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 56725993
5-(dipropylamino)-1-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135879490
5-[(4-fluorophenyl)methyl-(3-morpholin-4-ylpropyl)amino]-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135879516
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 177283419
1-Ethyl-5-(3-hydroxyphenyl)-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-e][1,4]diazepin-8-one
CID 22281605
6-[1-(4-Hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 68809758
3-(3-Hydroxyphenyl)-6-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
CID 134451184
1-Ethyl-5-(4-hydroxyphenyl)-3-isopropyl-6,7-dihydro-1H-pyrazolo[4,3-e][1,4]diazepin-8-one
CID 135721252
5-(4-Hydroxyphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 135721254

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135879468) is 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCN(CCC)c1nc2c(-c3cccc(O)c3)nn(C)c2c(=O)[nH]1.
What is the InChIKey of 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is HXRPRNYDUQMSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-9-23(10-5-2)18-19-15-14(12-7-6-8-13(24)11-12)21-22(3)16(15)17(25)20-18/h6-8,11,24H,4-5,9-10H2,1-3H3,(H,19,20,25).
What are the key properties of 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 341.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-3-(3-hydroxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135879468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).