2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C23H21ClN6O2S — CID 1445418

IUPAC2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H21ClN6O2S/c24-17-5-1-3-7-19(17)30-22-16(13-27-30)23(26-15-25-22)33-14-21(31)28-18-6-2-4-8-20(18)29-9-11-32-12-10-29/h1-8,13,15H,9-12,14H2,(H,28,31)
InChIKeyFKNACVRWORRAEN-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.04
Rot. Bonds6

About 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 1445418) has the molecular formula C23H21ClN6O2S and a molecular weight of 480.98 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID1445418
Molecular FormulaC23H21ClN6O2S
Molecular Weight480.98 g/mol
Exact Mass480.11
IUPAC Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H21ClN6O2S/c24-17-5-1-3-7-19(17)30-22-16(13-27-30)23(26-15-25-22)33-14-21(31)28-18-6-2-4-8-20(18)29-9-11-32-12-10-29/h1-8,13,15H,9-12,14H2,(H,28,31)
InChIKeyFKNACVRWORRAEN-UHFFFAOYSA-N
XLogP4.04
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1445436
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 1445422
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 1445402
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 3193804
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 1445395
N-(2,5-dichlorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 1140016
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 3193803
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3995204
N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445232
4-(2-chlorophenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110425325
N-(2-chlorophenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008426
N-(4-chloro-2-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 3810099

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 1445418) is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is FKNACVRWORRAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2S/c24-17-5-1-3-7-19(17)30-22-16(13-27-30)23(26-15-25-22)33-14-21(31)28-18-6-2-4-8-20(18)29-9-11-32-12-10-29/h1-8,13,15H,9-12,14H2,(H,28,31).
What are the key properties of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 480.98 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1445418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).