6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H21N5O3 — CID 137267481

IUPAC6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cc(CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C2CC2)ccc1O
InChIInChI=1S/C22H21N5O3/c1-30-19-11-14(7-10-18(19)28)13-26(15-8-9-15)22-24-20-17(21(29)25-22)12-23-27(20)16-5-3-2-4-6-16/h2-7,10-12,15,28H,8-9,13H2,1H3,(H,24,25,29)
InChIKeyHUGXSDHAGSZVEI-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.99
Rot. Bonds6

About 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137267481) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137267481
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cc(CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C2CC2)ccc1O
InChIInChI=1S/C22H21N5O3/c1-30-19-11-14(7-10-18(19)28)13-26(15-8-9-15)22-24-20-17(21(29)25-22)12-23-27(20)16-5-3-2-4-6-16/h2-7,10-12,15,28H,8-9,13H2,1H3,(H,24,25,29)
InChIKeyHUGXSDHAGSZVEI-UHFFFAOYSA-N
XLogP2.99
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991265
6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137276018
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336
6-[benzyl(propyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137265013
6-[methyl(2-phenylethyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274998
6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137270652
6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136829763
methyl 2-methyl-3-[methyl-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanoate
CID 137264966
6-[(3-fluoro-4-methoxyphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258246
4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol
CID 75504406
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
6-[(1-benzylimidazol-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275526

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137267481) is 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1cc(CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C2CC2)ccc1O.
What is the InChIKey of 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HUGXSDHAGSZVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-30-19-11-14(7-10-18(19)28)13-26(15-8-9-15)22-24-20-17(21(29)25-22)12-23-27(20)16-5-3-2-4-6-16/h2-7,10-12,15,28H,8-9,13H2,1H3,(H,24,25,29).
What are the key properties of 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 403.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137267481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).