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

C17H14F2N4O — CID 134190097

IUPACN-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCCC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H14F2N4O/c1-2-17(18,19)12-9-24-14-8-10(5-6-11(12)14)21-16-15-13(22-23-16)4-3-7-20-15/h3-9H,2H2,1H3,(H2,21,22,23)
InChIKeyFDFHBYIMCQIBEA-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.95
Rot. Bonds4

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

N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134190097) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134190097
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCCC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H14F2N4O/c1-2-17(18,19)12-9-24-14-8-10(5-6-11(12)14)21-16-15-13(22-23-16)4-3-7-20-15/h3-9H,2H2,1H3,(H2,21,22,23)
InChIKeyFDFHBYIMCQIBEA-UHFFFAOYSA-N
XLogP4.95
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.95
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-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134190097) is N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is CCC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is FDFHBYIMCQIBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-2-17(18,19)12-9-24-14-8-10(5-6-11(12)14)21-16-15-13(22-23-16)4-3-7-20-15/h3-9H,2H2,1H3,(H2,21,22,23).
What are the key properties of N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 328.32 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134190097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).