2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol

C22H23FN6O2 — CID 169150934

IUPAC2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc(C3CC(c4ccc(C(C)(C)O)cn4)C3)nc21
InChIInChI=1S/C22H23FN6O2/c1-22(2,30)13-4-5-16(25-10-13)11-6-12(7-11)19-27-20-15-8-14(23)9-17(31-3)18(15)26-21(24)29(20)28-19/h4-5,8-12,30H,6-7H2,1-3H3,(H2,24,26)
InChIKeyJOOZZINVJGGWGX-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.29
Rot. Bonds4

About 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol

2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol (PubChem CID 169150934) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol
PubChem CID169150934
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc(C3CC(c4ccc(C(C)(C)O)cn4)C3)nc21
InChIInChI=1S/C22H23FN6O2/c1-22(2,30)13-4-5-16(25-10-13)11-6-12(7-11)19-27-20-15-8-14(23)9-17(31-3)18(15)26-21(24)29(20)28-19/h4-5,8-12,30H,6-7H2,1-3H3,(H2,24,26)
InChIKeyJOOZZINVJGGWGX-UHFFFAOYSA-N
XLogP3.29
TPSA111.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol (CID 169150934) is 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol is COc1cc(F)cc2c1nc(N)n1nc(C3CC(c4ccc(C(C)(C)O)cn4)C3)nc21.
What is the InChIKey of 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol?
The InChIKey is JOOZZINVJGGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-22(2,30)13-4-5-16(25-10-13)11-6-12(7-11)19-27-20-15-8-14(23)9-17(31-3)18(15)26-21(24)29(20)28-19/h4-5,8-12,30H,6-7H2,1-3H3,(H2,24,26).
What are the key properties of 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol?
2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol has a molecular weight of 422.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 169150934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).