3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine

C22H19F2N3OS — CID 29090068

IUPAC3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccc(C)s4)nc32)cc1
InChIInChI=1S/C22H19F2N3OS/c1-12-3-10-18(29-12)17-11-16(21(23)24)19-20(13-4-5-13)26-27(22(19)25-17)14-6-8-15(28-2)9-7-14/h3,6-11,13,21H,4-5H2,1-2H3
InChIKeyLSGNSOMLQKLXRA-UHFFFAOYSA-N
MW411.48 g/mol
LogP6.28
Rot. Bonds5

About 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine

3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 29090068) has the molecular formula C22H19F2N3OS and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID29090068
Molecular FormulaC22H19F2N3OS
Molecular Weight411.48 g/mol
Exact Mass411.12
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccc(C)s4)nc32)cc1
InChIInChI=1S/C22H19F2N3OS/c1-12-3-10-18(29-12)17-11-16(21(23)24)19-20(13-4-5-13)26-27(22(19)25-17)14-6-8-15(28-2)9-7-14/h3,6-11,13,21H,4-5H2,1-2H3
InChIKeyLSGNSOMLQKLXRA-UHFFFAOYSA-N
XLogP6.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine
CID 29090074
6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine
CID 29090062
6-(4-bromophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine
CID 29090063
3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine
CID 29090117
3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29096293
4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
CID 29090038
4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090055
3-cyclopropyl-4-(difluoromethyl)-6-(4-ethylphenyl)-1-phenylpyrazolo[5,4-b]pyridine
CID 19498007
3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine
CID 19498021
4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090046
4-[4-(difluoromethyl)-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]benzoic acid
CID 29090416
1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
CID 19589194

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine (CID 29090068) is 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine is COc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccc(C)s4)nc32)cc1.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is LSGNSOMLQKLXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3OS/c1-12-3-10-18(29-12)17-11-16(21(23)24)19-20(13-4-5-13)26-27(22(19)25-17)14-6-8-15(28-2)9-7-14/h3,6-11,13,21H,4-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 411.48 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).