[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid

C23H21N7O5S — CID 174172126

IUPAC[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1-n1nc(CN(C)C(=O)O)c2cnc(-c3cnn4cccnc34)cc21
InChIInChI=1S/C23H21N7O5S/c1-28(23(31)32)13-18-15-11-25-17(16-12-26-29-8-4-7-24-22(16)29)10-19(15)30(27-18)20-9-14(36(3,33)34)5-6-21(20)35-2/h4-12H,13H2,1-3H3,(H,31,32)
InChIKeyUNYLGQVGQAMIOC-UHFFFAOYSA-N
MW507.53 g/mol
LogP2.65
Rot. Bonds6

About [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid

[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid (PubChem CID 174172126) has the molecular formula C23H21N7O5S and a molecular weight of 507.53 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
PubChem CID174172126
Molecular FormulaC23H21N7O5S
Molecular Weight507.53 g/mol
Exact Mass507.13
IUPAC Name[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1-n1nc(CN(C)C(=O)O)c2cnc(-c3cnn4cccnc34)cc21
InChIInChI=1S/C23H21N7O5S/c1-28(23(31)32)13-18-15-11-25-17(16-12-26-29-8-4-7-24-22(16)29)10-19(15)30(27-18)20-9-14(36(3,33)34)5-6-21(20)35-2/h4-12H,13H2,1-3H3,(H,31,32)
InChIKeyUNYLGQVGQAMIOC-UHFFFAOYSA-N
XLogP2.65
TPSA144.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic 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

1-[4-[6-(5-Ethylsulfonyl-2-methoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 58861816
2-N-(5-fluoro-1H-indazol-3-yl)-2-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 67418741
tert-butyl 4-(4-(3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-methoxy phenyl)piperazine-1-carboxylate
CID 90030785
1-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-N-[3-(dimethylamino)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 165125504
1-[2-(Difluoromethoxy)-5-piperidin-4-ylsulfanylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
CID 165125677
2-[4-(difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfanyl-N-methylacetamide
CID 170553655
2-[4-(Difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfonylacetamide
CID 170553656
1-[2-(Difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
CID 170553657
1-[2-(Difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
CID 170553669
1-[5-Cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
CID 170553671
1-[2-(Difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
CID 170553675
2-[4-(Difluoromethoxy)-3-(3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl)phenyl]sulfanylacetamide
CID 170553677

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid?
The IUPAC name of [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid (CID 174172126) is [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid.
What is the SMILES notation for [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid?
The canonical SMILES for [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid is COc1ccc(S(C)(=O)=O)cc1-n1nc(CN(C)C(=O)O)c2cnc(-c3cnn4cccnc34)cc21.
What is the InChIKey of [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid?
The InChIKey is UNYLGQVGQAMIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O5S/c1-28(23(31)32)13-18-15-11-25-17(16-12-26-29-8-4-7-24-22(16)29)10-19(15)30(27-18)20-9-14(36(3,33)34)5-6-21(20)35-2/h4-12H,13H2,1-3H3,(H,31,32).
What are the key properties of [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid?
[1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid has a molecular weight of 507.53 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylsulfonylphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]methyl-methylcarbamic acid is sourced from PubChem (CID 174172126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).