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

C19H25N5O2 — CID 135879464

IUPAC5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCN(CCC)c1nc2c(-c3cccc(OC)c3)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C19H25N5O2/c1-5-10-24(11-6-2)19-20-16-15(13-8-7-9-14(12-13)26-4)22-23(3)17(16)18(25)21-19/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21,25)
InChIKeyVTUXUBGWHNSWSC-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.96
Rot. Bonds7

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

5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135879464) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135879464
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCN(CCC)c1nc2c(-c3cccc(OC)c3)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C19H25N5O2/c1-5-10-24(11-6-2)19-20-16-15(13-8-7-9-14(12-13)26-4)22-23(3)17(16)18(25)21-19/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21,25)
InChIKeyVTUXUBGWHNSWSC-UHFFFAOYSA-N
XLogP2.96
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
5-(2-ethoxyphenyl)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135433645
N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 135982356
5-(4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832625
2-[2-(4-Methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]-N-(3-phenylpropyl)acetamide
CID 20953567
N-(4-Methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
CID 20953582
5-(2-(cyclopropylmethoxy)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 136056128
3-isopropyl-1-methyl-5-(2-(2-morpholinoethoxy)benzyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 136059722
3-(Tert-butyl)-5-(2-ethoxyphenyl)-1-methyl-4-hydropyrazolo[4,5-d]pyrimidin-7-o ne
CID 135401632
5-(3-Methoxy-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626423
5-(3,4-Dimethoxy-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626427
5-(2-Methoxy-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626439

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135879464) is 5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCN(CCC)c1nc2c(-c3cccc(OC)c3)nn(C)c2c(=O)[nH]1.
What is the InChIKey of 5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is VTUXUBGWHNSWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-5-10-24(11-6-2)19-20-16-15(13-8-7-9-14(12-13)26-4)22-23(3)17(16)18(25)21-19/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21,25).
What are the key properties of 5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 355.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-3-(3-methoxyphenyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135879464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).