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

C16H13F2N5O — CID 134190256

IUPAC3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCC(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)F
InChIInChI=1S/C16H13F2N5O/c1-8(15(17)18)13-10-5-4-9(7-12(10)24-23-13)20-16-14-11(21-22-16)3-2-6-19-14/h2-8,15H,1H3,(H2,20,21,22)
InChIKeyPOTHXWWAIADMDJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.21
Rot. Bonds4

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

3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190256) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190256
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCC(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)F
InChIInChI=1S/C16H13F2N5O/c1-8(15(17)18)13-10-5-4-9(7-12(10)24-23-13)20-16-14-11(21-22-16)3-2-6-19-14/h2-8,15H,1H3,(H2,20,21,22)
InChIKeyPOTHXWWAIADMDJ-UHFFFAOYSA-N
XLogP4.21
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190256) is 3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is CC(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is POTHXWWAIADMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c1-8(15(17)18)13-10-5-4-9(7-12(10)24-23-13)20-16-14-11(21-22-16)3-2-6-19-14/h2-8,15H,1H3,(H2,20,21,22).
What are the key properties of 3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 329.31 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).