6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H26N4O4S — CID 41096296

IUPAC6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C23H26N4O4S/c1-13-4-7-20(31-3)19(10-13)25-23(28)17-11-18(15-5-6-15)24-22-21(17)14(2)26-27(22)16-8-9-32(29,30)12-16/h4,7,10-11,15-16H,5-6,8-9,12H2,1-3H3,(H,25,28)/t16-/m0/s1
InChIKeyJPXZGCLXCNFCJH-INIZCTEOSA-N
MW454.55 g/mol
LogP3.55
Rot. Bonds5

About 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 41096296) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID41096296
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C23H26N4O4S/c1-13-4-7-20(31-3)19(10-13)25-23(28)17-11-18(15-5-6-15)24-22-21(17)14(2)26-27(22)16-8-9-32(29,30)12-16/h4,7,10-11,15-16H,5-6,8-9,12H2,1-3H3,(H,25,28)/t16-/m0/s1
InChIKeyJPXZGCLXCNFCJH-INIZCTEOSA-N
XLogP3.55
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-fluoro-4-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917558
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-ethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917561
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25498319
6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917513
6-cyclopropyl-N-(2,6-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25497379
6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46809415
6-cyclopropyl-N-(3,5-difluorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495078
N-cycloheptyl-6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918577
N-cycloheptyl-6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918578
1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-(4-methylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27509219
6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41184630
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 43025552

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 41096296) is 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JPXZGCLXCNFCJH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-13-4-7-20(31-3)19(10-13)25-23(28)17-11-18(15-5-6-15)24-22-21(17)14(2)26-27(22)16-8-9-32(29,30)12-16/h4,7,10-11,15-16H,5-6,8-9,12H2,1-3H3,(H,25,28)/t16-/m0/s1.
What are the key properties of 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 41096296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).