2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide

C17H14F2N4O2 — CID 163251899

IUPAC2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1c(F)cccc1-c1[nH]nc2nc(NC(=O)C3CC3F)ccc12
InChIInChI=1S/C17H14F2N4O2/c1-25-15-8(3-2-4-11(15)18)14-9-5-6-13(20-16(9)23-22-14)21-17(24)10-7-12(10)19/h2-6,10,12H,7H2,1H3,(H2,20,21,22,23,24)
InChIKeyXRFUDBRWUZLUPI-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.07
Rot. Bonds4

About 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide

2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide (PubChem CID 163251899) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
PubChem CID163251899
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1c(F)cccc1-c1[nH]nc2nc(NC(=O)C3CC3F)ccc12
InChIInChI=1S/C17H14F2N4O2/c1-25-15-8(3-2-4-11(15)18)14-9-5-6-13(20-16(9)23-22-14)21-17(24)10-7-12(10)19/h2-6,10,12H,7H2,1H3,(H2,20,21,22,23,24)
InChIKeyXRFUDBRWUZLUPI-UHFFFAOYSA-N
XLogP3.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide (CID 163251899) is 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide is COc1c(F)cccc1-c1[nH]nc2nc(NC(=O)C3CC3F)ccc12.
What is the InChIKey of 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is XRFUDBRWUZLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-25-15-8(3-2-4-11(15)18)14-9-5-6-13(20-16(9)23-22-14)21-17(24)10-7-12(10)19/h2-6,10,12H,7H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163251899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).