6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H14ClN5OS — CID 137258283

IUPAC6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClN5OS/c1-10(13-7-8-14(18)25-13)20-17-21-15-12(16(24)22-17)9-19-23(15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,20,21,22,24)
InChIKeyCKWOGRTVOMFTRR-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.00
Rot. Bonds4

About 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137258283) has the molecular formula C17H14ClN5OS and a molecular weight of 371.85 g/mol. Its IUPAC name is 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137258283
Molecular FormulaC17H14ClN5OS
Molecular Weight371.85 g/mol
Exact Mass371.06
IUPAC Name6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClN5OS/c1-10(13-7-8-14(18)25-13)20-17-21-15-12(16(24)22-17)9-19-23(15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,20,21,22,24)
InChIKeyCKWOGRTVOMFTRR-UHFFFAOYSA-N
XLogP4.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269859
6-[1-(4-methylphenyl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275090
6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269912
6-[[(4-fluorophenyl)-phenylmethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274805
6-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-3H-quinazolin-4-one
CID 136808817
6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136817035
6-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275271
1-phenyl-6-(1,3-thiazol-4-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154741360
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-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275297
6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274782

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137258283) is 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(Cl)s1.
What is the InChIKey of 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CKWOGRTVOMFTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5OS/c1-10(13-7-8-14(18)25-13)20-17-21-15-12(16(24)22-17)9-19-23(15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,20,21,22,24).
What are the key properties of 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 371.85 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-chlorothiophen-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137258283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).