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

C17H13F2N5O2 — CID 134190189

IUPAC3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESFC1(F)CC1COc1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H13F2N5O2/c18-17(19)7-9(17)8-25-16-11-4-3-10(6-13(11)26-24-16)21-15-14-12(22-23-15)2-1-5-20-14/h1-6,9H,7-8H2,(H2,21,22,23)
InChIKeyBSARPZYGBJAPCW-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.88
Rot. Bonds5

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

3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190189) has the molecular formula C17H13F2N5O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190189
Molecular FormulaC17H13F2N5O2
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESFC1(F)CC1COc1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H13F2N5O2/c18-17(19)7-9(17)8-25-16-11-4-3-10(6-13(11)26-24-16)21-15-14-12(22-23-15)2-1-5-20-14/h1-6,9H,7-8H2,(H2,21,22,23)
InChIKeyBSARPZYGBJAPCW-UHFFFAOYSA-N
XLogP3.88
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190189) is 3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is FC1(F)CC1COc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is BSARPZYGBJAPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2/c18-17(19)7-9(17)8-25-16-11-4-3-10(6-13(11)26-24-16)21-15-14-12(22-23-15)2-1-5-20-14/h1-6,9H,7-8H2,(H2,21,22,23).
What are the key properties of 3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 357.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluorocyclopropyl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).