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

C22H24N4O3S — CID 25498319

IUPAC6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C22H24N4O3S/c1-13-4-3-5-16(10-13)23-22(27)18-11-19(15-6-7-15)24-21-20(18)14(2)25-26(21)17-8-9-30(28,29)12-17/h3-5,10-11,15,17H,6-9,12H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyQZWNIUZSKUGHEE-KRWDZBQOSA-N
MW424.53 g/mol
LogP3.54
Rot. Bonds4

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

6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 25498319) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID25498319
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C22H24N4O3S/c1-13-4-3-5-16(10-13)23-22(27)18-11-19(15-6-7-15)24-21-20(18)14(2)25-26(21)17-8-9-30(28,29)12-17/h3-5,10-11,15,17H,6-9,12H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyQZWNIUZSKUGHEE-KRWDZBQOSA-N
XLogP3.54
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46809415
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-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46540347
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-[3-(tetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41169351
6-cyclopropyl-N-(3,5-difluorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495078
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-[(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
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41096296
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-ethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917561
N-cycloheptyl-6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918577

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 25498319) is 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QZWNIUZSKUGHEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-13-4-3-5-16(10-13)23-22(27)18-11-19(15-6-7-15)24-21-20(18)14(2)25-26(21)17-8-9-30(28,29)12-17/h3-5,10-11,15,17H,6-9,12H2,1-2H3,(H,23,27)/t17-/m0/s1.
What are the key properties of 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 25498319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).