6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H28N6O2 — CID 136817035

IUPAC6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C22H28N6O2/c1-16(22(9-5-6-10-22)27-11-13-30-14-12-27)24-21-25-19-18(20(29)26-21)15-23-28(19)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H2,24,25,26,29)/t16-/m0/s1
InChIKeyAXPSCTQIBOZAPJ-INIZCTEOSA-N
MW408.51 g/mol
LogP2.55
Rot. Bonds5

About 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136817035) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136817035
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C22H28N6O2/c1-16(22(9-5-6-10-22)27-11-13-30-14-12-27)24-21-25-19-18(20(29)26-21)15-23-28(19)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H2,24,25,26,29)/t16-/m0/s1
InChIKeyAXPSCTQIBOZAPJ-INIZCTEOSA-N
XLogP2.55
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275090
6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275297
6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269912
6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258283
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269859
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135926182
6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267419
6-[[(4-fluorophenyl)-phenylmethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274805
6-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275271
6-[4-(4-ethylpiperazin-1-yl)anilino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167968460
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

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136817035) is 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AXPSCTQIBOZAPJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-16(22(9-5-6-10-22)27-11-13-30-14-12-27)24-21-25-19-18(20(29)26-21)15-23-28(19)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H2,24,25,26,29)/t16-/m0/s1.
What are the key properties of 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 408.51 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136817035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).