6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine

C21H22F2N4O — CID 85468913

IUPAC6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2ncc3c(N4CCC(F)(F)C4)cc(C4CC4)nc32)cc1
InChIInChI=1S/C21H22F2N4O/c1-28-16-6-2-14(3-7-16)12-27-20-17(11-24-27)19(10-18(25-20)15-4-5-15)26-9-8-21(22,23)13-26/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3
InChIKeyDUMCWACMACGLJX-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.21
Rot. Bonds5

About 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine

6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine (PubChem CID 85468913) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
PubChem CID85468913
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2ncc3c(N4CCC(F)(F)C4)cc(C4CC4)nc32)cc1
InChIInChI=1S/C21H22F2N4O/c1-28-16-6-2-14(3-7-16)12-27-20-17(11-24-27)19(10-18(25-20)15-4-5-15)26-9-8-21(22,23)13-26/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3
InChIKeyDUMCWACMACGLJX-UHFFFAOYSA-N
XLogP4.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine (CID 85468913) is 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine is COc1ccc(Cn2ncc3c(N4CCC(F)(F)C4)cc(C4CC4)nc32)cc1.
What is the InChIKey of 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is DUMCWACMACGLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O/c1-28-16-6-2-14(3-7-16)12-27-20-17(11-24-27)19(10-18(25-20)15-4-5-15)26-9-8-21(22,23)13-26/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3.
What are the key properties of 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine?
6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 384.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(3,3-difluoropyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 85468913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).