6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H22F3N5O2 — CID 134790896

IUPAC6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(F)(F)F)c3c(C4CCNC4)nn(C)c3n2)cc1
InChIInChI=1S/C21H22F3N5O2/c1-29-19-17(18(28-29)13-7-8-25-10-13)15(20(30)26-11-21(22,23)24)9-16(27-19)12-3-5-14(31-2)6-4-12/h3-6,9,13,25H,7-8,10-11H2,1-2H3,(H,26,30)
InChIKeyHCMURDDWPIEJOW-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.01
Rot. Bonds5

About 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134790896) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134790896
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(F)(F)F)c3c(C4CCNC4)nn(C)c3n2)cc1
InChIInChI=1S/C21H22F3N5O2/c1-29-19-17(18(28-29)13-7-8-25-10-13)15(20(30)26-11-21(22,23)24)9-16(27-19)12-3-5-14(31-2)6-4-12/h3-6,9,13,25H,7-8,10-11H2,1-2H3,(H,26,30)
InChIKeyHCMURDDWPIEJOW-UHFFFAOYSA-N
XLogP3.01
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134790896) is 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCC(F)(F)F)c3c(C4CCNC4)nn(C)c3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HCMURDDWPIEJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-29-19-17(18(28-29)13-7-8-25-10-13)15(20(30)26-11-21(22,23)24)9-16(27-19)12-3-5-14(31-2)6-4-12/h3-6,9,13,25H,7-8,10-11H2,1-2H3,(H,26,30).
What are the key properties of 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-methyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134790896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).