(7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

C24H25N5O5 — CID 136798163

IUPAC(7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3c(C(N)=O)cnn32)ccc1O
InChIInChI=1S/C24H25N5O5/c1-4-34-19-11-14(5-10-18(19)30)21-20(24(32)28-15-6-8-16(33-3)9-7-15)13(2)27-23-17(22(25)31)12-26-29(21)23/h5-12,21,27,30H,4H2,1-3H3,(H2,25,31)(H,28,32)/t21-/m0/s1
InChIKeyWGFKXJIAJZWBGU-NRFANRHFSA-N
MW463.49 g/mol
LogP3.02
Rot. Bonds7

About (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

(7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 136798163) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name(7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID136798163
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name(7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3c(C(N)=O)cnn32)ccc1O
InChIInChI=1S/C24H25N5O5/c1-4-34-19-11-14(5-10-18(19)30)21-20(24(32)28-15-6-8-16(33-3)9-7-15)13(2)27-23-17(22(25)31)12-26-29(21)23/h5-12,21,27,30H,4H2,1-3H3,(H2,25,31)(H,28,32)/t21-/m0/s1
InChIKeyWGFKXJIAJZWBGU-NRFANRHFSA-N
XLogP3.02
TPSA140.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[[(7S)-3-carbamoyl-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate
CID 136798165
(7S)-7-(3,4-dimethoxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136680121
(7S)-7-(3-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1289989
6-N-(4-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-7-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135551111
7-(3-ethoxy-4-methoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805184
(7R)-7-(3,4-dimethoxyphenyl)-3-N-(4-fluorophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136680150
ethyl 7-(3-ethoxy-4-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135799715
6-N-(4-methoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-7-(3-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135889987
N-(4-chlorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3160948
7-(3,4-diethoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805284
7-(2-chlorophenyl)-6-N-(4-chlorophenyl)-3-N-(4-ethoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135936496
(7S)-6-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136674479

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 136798163) is (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3c(C(N)=O)cnn32)ccc1O.
What is the InChIKey of (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is WGFKXJIAJZWBGU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-4-34-19-11-14(5-10-18(19)30)21-20(24(32)28-15-6-8-16(33-3)9-7-15)13(2)27-23-17(22(25)31)12-26-29(21)23/h5-12,21,27,30H,4H2,1-3H3,(H2,25,31)(H,28,32)/t21-/m0/s1.
What are the key properties of (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
(7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 463.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3-ethoxy-4-hydroxyphenyl)-6-N-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 136798163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).