6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H27FN4O3S — CID 43034676

IUPAC6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)C(C)c3ccc(F)cc3)c12
InChIInChI=1S/C24H27FN4O3S/c1-14-22-20(24(30)28(3)15(2)16-6-8-18(25)9-7-16)12-21(17-4-5-17)26-23(22)29(27-14)19-10-11-33(31,32)13-19/h6-9,12,15,17,19H,4-5,10-11,13H2,1-3H3
InChIKeyUVVWEPRRCWUSBZ-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.95
Rot. Bonds5

About 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43034676) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43034676
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)C(C)c3ccc(F)cc3)c12
InChIInChI=1S/C24H27FN4O3S/c1-14-22-20(24(30)28(3)15(2)16-6-8-18(25)9-7-16)12-21(17-4-5-17)26-23(22)29(27-14)19-10-11-33(31,32)13-19/h6-9,12,15,17,19H,4-5,10-11,13H2,1-3H3
InChIKeyUVVWEPRRCWUSBZ-UHFFFAOYSA-N
XLogP3.95
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46402507
6-cyclopropyl-N-(3,5-difluorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495078
N-butyl-6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46636245
2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25492597
6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 40897254
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-N-(2,6-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25497379
N-cycloheptyl-6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918578
N-cycloheptyl-6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918577
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-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-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 43034676) is 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)C(C)c3ccc(F)cc3)c12.
What is the InChIKey of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UVVWEPRRCWUSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-14-22-20(24(30)28(3)15(2)16-6-8-18(25)9-7-16)12-21(17-4-5-17)26-23(22)29(27-14)19-10-11-33(31,32)13-19/h6-9,12,15,17,19H,4-5,10-11,13H2,1-3H3.
What are the key properties of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43034676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).