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

C21H19N5O2 — CID 137270652

IUPAC6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc2c1CCC2Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C21H19N5O2/c1-28-18-9-5-8-14-15(18)10-11-17(14)23-21-24-19-16(20(27)25-21)12-22-26(19)13-6-3-2-4-7-13/h2-9,12,17H,10-11H2,1H3,(H2,23,24,25,27)
InChIKeyATPCUOKYLQQRLB-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.22
Rot. Bonds4

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

6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137270652) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137270652
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc2c1CCC2Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C21H19N5O2/c1-28-18-9-5-8-14-15(18)10-11-17(14)23-21-24-19-16(20(27)25-21)12-22-26(19)13-6-3-2-4-7-13/h2-9,12,17H,10-11H2,1H3,(H2,23,24,25,27)
InChIKeyATPCUOKYLQQRLB-UHFFFAOYSA-N
XLogP3.22
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137270653
4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one
CID 133361772
methyl 3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]azetidine-1-carboxylate
CID 137265043
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275125
6-[[(1S)-cyclohex-3-en-1-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136766338
6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136829763
6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138989629
propan-2-yl 4-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]piperidine-1-carboxylate
CID 137263059
6-[(3-fluoro-4-methoxyphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258246
6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136783626
6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166214244

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137270652) is 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1cccc2c1CCC2Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ATPCUOKYLQQRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-18-9-5-8-14-15(18)10-11-17(14)23-21-24-19-16(20(27)25-21)12-22-26(19)13-6-3-2-4-7-13/h2-9,12,17H,10-11H2,1H3,(H2,23,24,25,27).
What are the key properties of 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 373.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137270652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).