3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol

C20H24F2N4O2 — CID 134505321

IUPAC3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol
SMILESNc1ncc(-c2cc(C3CN(CCCO)C3)cc(C3CC3)n2)cc1OC(F)F
InChIInChI=1S/C20H24F2N4O2/c21-20(22)28-18-8-14(9-24-19(18)23)17-7-13(6-16(25-17)12-2-3-12)15-10-26(11-15)4-1-5-27/h6-9,12,15,20,27H,1-5,10-11H2,(H2,23,24)
InChIKeyBOZWCVZHZKKYOI-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.99
Rot. Bonds8

About 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol

3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol (PubChem CID 134505321) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol
PubChem CID134505321
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol
SMILESNc1ncc(-c2cc(C3CN(CCCO)C3)cc(C3CC3)n2)cc1OC(F)F
InChIInChI=1S/C20H24F2N4O2/c21-20(22)28-18-8-14(9-24-19(18)23)17-7-13(6-16(25-17)12-2-3-12)15-10-26(11-15)4-1-5-27/h6-9,12,15,20,27H,1-5,10-11H2,(H2,23,24)
InChIKeyBOZWCVZHZKKYOI-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol?
The IUPAC name of 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol (CID 134505321) is 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol is Nc1ncc(-c2cc(C3CN(CCCO)C3)cc(C3CC3)n2)cc1OC(F)F.
What is the InChIKey of 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol?
The InChIKey is BOZWCVZHZKKYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c21-20(22)28-18-8-14(9-24-19(18)23)17-7-13(6-16(25-17)12-2-3-12)15-10-26(11-15)4-1-5-27/h6-9,12,15,20,27H,1-5,10-11H2,(H2,23,24).
What are the key properties of 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol?
3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol has a molecular weight of 390.43 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol is sourced from PubChem (CID 134505321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).