methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C12H13FN4O2 — CID 166876557

IUPACmethyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]nc(N3CC[C@H](F)C3)c2c1
InChIInChI=1S/C12H13FN4O2/c1-19-12(18)7-4-9-10(14-5-7)15-16-11(9)17-3-2-8(13)6-17/h4-5,8H,2-3,6H2,1H3,(H,14,15,16)/t8-/m0/s1
InChIKeyQQBRADIGJGTOPY-QMMMGPOBSA-N
MW264.26 g/mol
LogP1.29
Rot. Bonds2

About methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 166876557) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID166876557
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Namemethyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]nc(N3CC[C@H](F)C3)c2c1
InChIInChI=1S/C12H13FN4O2/c1-19-12(18)7-4-9-10(14-5-7)15-16-11(9)17-3-2-8(13)6-17/h4-5,8H,2-3,6H2,1H3,(H,14,15,16)/t8-/m0/s1
InChIKeyQQBRADIGJGTOPY-QMMMGPOBSA-N
XLogP1.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 166876557) is methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is COC(=O)c1cnc2[nH]nc(N3CC[C@H](F)C3)c2c1.
What is the InChIKey of methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is QQBRADIGJGTOPY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-19-12(18)7-4-9-10(14-5-7)15-16-11(9)17-3-2-8(13)6-17/h4-5,8H,2-3,6H2,1H3,(H,14,15,16)/t8-/m0/s1.
What are the key properties of methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 264.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 166876557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).