6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H27FN4O4S — CID 46637894

IUPAC6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C2CCS(=O)(=O)C2)cc1F
InChIInChI=1S/C24H27FN4O4S/c1-13(16-6-7-21(33-3)19(25)10-16)26-24(30)18-11-20(15-4-5-15)27-23-22(18)14(2)28-29(23)17-8-9-34(31,32)12-17/h6-7,10-11,13,15,17H,4-5,8-9,12H2,1-3H3,(H,26,30)
InChIKeyAVTSWZXITQQGRG-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.62
Rot. Bonds6

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

6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46637894) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46637894
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C2CCS(=O)(=O)C2)cc1F
InChIInChI=1S/C24H27FN4O4S/c1-13(16-6-7-21(33-3)19(25)10-16)26-24(30)18-11-20(15-4-5-15)27-23-22(18)14(2)28-29(23)17-8-9-34(31,32)12-17/h6-7,10-11,13,15,17H,4-5,8-9,12H2,1-3H3,(H,26,30)
InChIKeyAVTSWZXITQQGRG-UHFFFAOYSA-N
XLogP3.62
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46637894) is 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(C(C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C2CCS(=O)(=O)C2)cc1F.
What is the InChIKey of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AVTSWZXITQQGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-13(16-6-7-21(33-3)19(25)10-16)26-24(30)18-11-20(15-4-5-15)27-23-22(18)14(2)28-29(23)17-8-9-34(31,32)12-17/h6-7,10-11,13,15,17H,4-5,8-9,12H2,1-3H3,(H,26,30).
What are the key properties of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46637894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).