(7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H20N4O5 — CID 135894824

IUPAC(7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(O)c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3ccc(O)cc3)C2)c(=O)o1
InChIInChI=1S/C25H20N4O5/c1-14-11-21(31)22(25(33)34-14)19-12-20(15-7-9-17(30)10-8-15)29-23(28-19)18(13-26-29)24(32)27-16-5-3-2-4-6-16/h2-11,13,20,30-31H,12H2,1H3,(H,27,32)/t20-/m1/s1
InChIKeyKFRAGXNKSCBGHG-HXUWFJFHSA-N
MW456.46 g/mol
LogP3.92
Rot. Bonds4

About (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135894824) has the molecular formula C25H20N4O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135894824
Molecular FormulaC25H20N4O5
Molecular Weight456.46 g/mol
Exact Mass456.14
IUPAC Name(7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(O)c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3ccc(O)cc3)C2)c(=O)o1
InChIInChI=1S/C25H20N4O5/c1-14-11-21(31)22(25(33)34-14)19-12-20(15-7-9-17(30)10-8-15)29-23(28-19)18(13-26-29)24(32)27-16-5-3-2-4-6-16/h2-11,13,20,30-31H,12H2,1H3,(H,27,32)/t20-/m1/s1
InChIKeyKFRAGXNKSCBGHG-HXUWFJFHSA-N
XLogP3.92
TPSA129.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one
CID 136842657
9-(4-hydroxyphenyl)-8-oxo-N-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656677
4-hydroxy-3-[(2R)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methylpyran-2-one
CID 135688491
4-hydroxy-6-methyl-3-[(2R)-2-(2-propylpyrazol-3-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]pyran-2-one
CID 135995761
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677802
3-[(2S)-2-(1-ethyl-3-methylpyrazol-4-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-6-methylpyran-2-one
CID 136792266
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
4-hydroxy-3-[(2R)-2-(2-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methylpyran-2-one
CID 137168763
9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656548
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
2-hydroxy-N-phenylbenzamide
CID 157209959

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135894824) is (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(O)c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3ccc(O)cc3)C2)c(=O)o1.
What is the InChIKey of (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KFRAGXNKSCBGHG-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H20N4O5/c1-14-11-21(31)22(25(33)34-14)19-12-20(15-7-9-17(30)10-8-15)29-23(28-19)18(13-26-29)24(32)27-16-5-3-2-4-6-16/h2-11,13,20,30-31H,12H2,1H3,(H,27,32)/t20-/m1/s1.
What are the key properties of (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 456.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135894824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).