[5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid

C24H23ClN4O5 — CID 135356461

IUPAC[5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2cc(Cl)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)cc1
InChIInChI=1S/C24H23ClN4O5/c1-14-22(16-7-10-18(33-3)19(11-16)34-4)23-26-20(25)12-21(29(23)27-14)28(24(30)31)13-15-5-8-17(32-2)9-6-15/h5-12H,13H2,1-4H3,(H,30,31)
InChIKeyBOTHWCLZXXVSOR-UHFFFAOYSA-N
MW482.92 g/mol
LogP5.07
Rot. Bonds7

About [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid

[5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid (PubChem CID 135356461) has the molecular formula C24H23ClN4O5 and a molecular weight of 482.92 g/mol. Its IUPAC name is [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid.

Molecular Properties

Compound Name[5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid
PubChem CID135356461
Molecular FormulaC24H23ClN4O5
Molecular Weight482.92 g/mol
Exact Mass482.14
IUPAC Name[5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2cc(Cl)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)cc1
InChIInChI=1S/C24H23ClN4O5/c1-14-22(16-7-10-18(33-3)19(11-16)34-4)23-26-20(25)12-21(29(23)27-14)28(24(30)31)13-15-5-8-17(32-2)9-6-15/h5-12H,13H2,1-4H3,(H,30,31)
InChIKeyBOTHWCLZXXVSOR-UHFFFAOYSA-N
XLogP5.07
TPSA98.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.92
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid 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

[5-(4-acetylpiperazin-1-yl)-3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]carbamic acid
CID 135356555
8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183224
7-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274773
1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
CID 17067599
methyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17147947
8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 139468419
8-(3,4-dimethoxyphenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 145215545
[5-(4-acetylpiperazin-1-yl)-3-[4-chloro-3-(methylcarbamoyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methyl-4-pyridinyl)methyl]carbamic acid
CID 135356534
8-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228340
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255731
8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 135356185
[8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)
CID 153428280

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid?
The IUPAC name of [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid (CID 135356461) is [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid.
What is the SMILES notation for [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid?
The canonical SMILES for [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid is COc1ccc(CN(C(=O)O)c2cc(Cl)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)cc1.
What is the InChIKey of [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid?
The InChIKey is BOTHWCLZXXVSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O5/c1-14-22(16-7-10-18(33-3)19(11-16)34-4)23-26-20(25)12-21(29(23)27-14)28(24(30)31)13-15-5-8-17(32-2)9-6-15/h5-12H,13H2,1-4H3,(H,30,31).
What are the key properties of [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid?
[5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid has a molecular weight of 482.92 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid is sourced from PubChem (CID 135356461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).