N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C18H14F2N4O2 — CID 134190105

IUPACN-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFC1(F)CC1COc1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H14F2N4O2/c19-18(20)7-10(18)8-25-15-9-26-14-6-11(3-4-12(14)15)22-17-16-13(23-24-17)2-1-5-21-16/h1-6,9-10H,7-8H2,(H2,22,23,24)
InChIKeyNIISJBYUGYNYHO-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.48
Rot. Bonds5

About N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134190105) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134190105
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC NameN-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFC1(F)CC1COc1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H14F2N4O2/c19-18(20)7-10(18)8-25-15-9-26-14-6-11(3-4-12(14)15)22-17-16-13(23-24-17)2-1-5-21-16/h1-6,9-10H,7-8H2,(H2,22,23,24)
InChIKeyNIISJBYUGYNYHO-UHFFFAOYSA-N
XLogP4.48
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134190105) is N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is FC1(F)CC1COc1coc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is NIISJBYUGYNYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-18(20)7-10(18)8-25-15-9-26-14-6-11(3-4-12(14)15)22-17-16-13(23-24-17)2-1-5-21-16/h1-6,9-10H,7-8H2,(H2,22,23,24).
What are the key properties of N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 356.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134190105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).