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

C22H24N6O2 — CID 169151069

IUPAC2-[6-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4ccc(C(C)(C)O)cn4)C3)nc21
InChIInChI=1S/C22H24N6O2/c1-22(2,29)14-7-8-16(24-11-14)12-9-13(10-12)19-26-20-15-5-4-6-17(30-3)18(15)25-21(23)28(20)27-19/h4-8,11-13,29H,9-10H2,1-3H3,(H2,23,25)
InChIKeyPJNTVXVTALKCEH-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.15
Rot. Bonds4

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

2-[6-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol (PubChem CID 169151069) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[6-[3-(5-amino-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-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol
PubChem CID169151069
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[6-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4ccc(C(C)(C)O)cn4)C3)nc21
InChIInChI=1S/C22H24N6O2/c1-22(2,29)14-7-8-16(24-11-14)12-9-13(10-12)19-26-20-15-5-4-6-17(30-3)18(15)25-21(23)28(20)27-19/h4-8,11-13,29H,9-10H2,1-3H3,(H2,23,25)
InChIKeyPJNTVXVTALKCEH-UHFFFAOYSA-N
XLogP3.15
TPSA111.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.15
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-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-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol (CID 169151069) is 2-[6-[3-(5-amino-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-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-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol is COc1cccc2c1nc(N)n1nc(C3CC(c4ccc(C(C)(C)O)cn4)C3)nc21.
What is the InChIKey of 2-[6-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol?
The InChIKey is PJNTVXVTALKCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-22(2,29)14-7-8-16(24-11-14)12-9-13(10-12)19-26-20-15-5-4-6-17(30-3)18(15)25-21(23)28(20)27-19/h4-8,11-13,29H,9-10H2,1-3H3,(H2,23,25).
What are the key properties of 2-[6-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol?
2-[6-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol has a molecular weight of 404.47 g/mol, XLogP of 3.15, 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-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 169151069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).