(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide

C16H14ClN5O3 — CID 41427577

IUPAC(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)[C@H]1CCCO1
InChIInChI=1S/C16H14ClN5O3/c17-10-3-1-4-11(7-10)22-14-12(8-19-22)16(24)21(9-18-14)20-15(23)13-5-2-6-25-13/h1,3-4,7-9,13H,2,5-6H2,(H,20,23)/t13-/m1/s1
InChIKeyNNNYKJJORVYWOA-CYBMUJFWSA-N
MW359.77 g/mol
LogP1.48
Rot. Bonds3

About (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide

(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide (PubChem CID 41427577) has the molecular formula C16H14ClN5O3 and a molecular weight of 359.77 g/mol. Its IUPAC name is (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide
PubChem CID41427577
Molecular FormulaC16H14ClN5O3
Molecular Weight359.77 g/mol
Exact Mass359.08
IUPAC Name(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)[C@H]1CCCO1
InChIInChI=1S/C16H14ClN5O3/c17-10-3-1-4-11(7-10)22-14-12(8-19-22)16(24)21(9-18-14)20-15(23)13-5-2-6-25-13/h1,3-4,7-9,13H,2,5-6H2,(H,20,23)/t13-/m1/s1
InChIKeyNNNYKJJORVYWOA-CYBMUJFWSA-N
XLogP1.48
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811162
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
CID 16811185
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylprop-2-enamide
CID 71962451
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 16811181
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide
CID 16811184
1-(3-chlorophenyl)-5-[2-(4-chlorophenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243770
2,5-dichloro-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804171
4-chloro-3-nitro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804109
(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide
CID 35427671
2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804100
1-(3-chlorophenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243768
5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 145469507

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide (CID 41427577) is (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide is O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide?
The InChIKey is NNNYKJJORVYWOA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14ClN5O3/c17-10-3-1-4-11(7-10)22-14-12(8-19-22)16(24)21(9-18-14)20-15(23)13-5-2-6-25-13/h1,3-4,7-9,13H,2,5-6H2,(H,20,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide?
(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 41427577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).