N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C16H12F2N4O — CID 134189997

IUPACN-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C16H12F2N4O/c1-16(17,18)11-8-23-13-7-9(4-5-10(11)13)20-15-14-12(21-22-15)3-2-6-19-14/h2-8H,1H3,(H2,20,21,22)
InChIKeyOLCFVFBAGIEQCR-UHFFFAOYSA-N
MW314.30 g/mol
LogP4.56
Rot. Bonds3

About N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134189997) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134189997
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C16H12F2N4O/c1-16(17,18)11-8-23-13-7-9(4-5-10(11)13)20-15-14-12(21-22-15)3-2-6-19-14/h2-8H,1H3,(H2,20,21,22)
InChIKeyOLCFVFBAGIEQCR-UHFFFAOYSA-N
XLogP4.56
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134189997) is N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is CC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is OLCFVFBAGIEQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c1-16(17,18)11-8-23-13-7-9(4-5-10(11)13)20-15-14-12(21-22-15)3-2-6-19-14/h2-8H,1H3,(H2,20,21,22).
What are the key properties of N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 314.30 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134189997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).