6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H17N5O3 — CID 138989629

IUPAC6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2COc3ccccc3C2O)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H17N5O3/c26-17-13-8-4-5-9-16(13)28-11-15(17)22-20-23-18-14(19(27)24-20)10-21-25(18)12-6-2-1-3-7-12/h1-10,15,17,26H,11H2,(H2,22,23,24,27)
InChIKeyIREIKVOVRZOFQB-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.02
Rot. Bonds3

About 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 138989629) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID138989629
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2COc3ccccc3C2O)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H17N5O3/c26-17-13-8-4-5-9-16(13)28-11-15(17)22-20-23-18-14(19(27)24-20)10-21-25(18)12-6-2-1-3-7-12/h1-10,15,17,26H,11H2,(H2,22,23,24,27)
InChIKeyIREIKVOVRZOFQB-UHFFFAOYSA-N
XLogP2.02
TPSA105.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154871489
methyl 3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]azetidine-1-carboxylate
CID 137265043
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137266046
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
6-[[(1S)-cyclohex-3-en-1-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136766338
6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275125
6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136783626
6-[2-(2,3-dihydro-1H-inden-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275947
6-[(2-cyclohexyl-2-hydroxyethyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136528482
6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267419
6-[(2-pentan-3-yloxan-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273800
6-[2-[4-(hydroxymethyl)phenyl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273758

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 138989629) is 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NC2COc3ccccc3C2O)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IREIKVOVRZOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-17-13-8-4-5-9-16(13)28-11-15(17)22-20-23-18-14(19(27)24-20)10-21-25(18)12-6-2-1-3-7-12/h1-10,15,17,26H,11H2,(H2,22,23,24,27).
What are the key properties of 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 375.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 138989629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).