2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H27N7O — CID 169150773

IUPAC2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4ncc(C(C)(C)N)cc4C)C3)nc21
InChIInChI=1S/C23H27N7O/c1-12-8-15(23(2,3)25)11-26-18(12)13-9-14(10-13)20-28-21-16-6-5-7-17(31-4)19(16)27-22(24)30(21)29-20/h5-8,11,13-14H,9-10,25H2,1-4H3,(H2,24,27)
InChIKeyLWYZCAFTYAGRRP-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.43
Rot. Bonds4

About 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169150773) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169150773
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4ncc(C(C)(C)N)cc4C)C3)nc21
InChIInChI=1S/C23H27N7O/c1-12-8-15(23(2,3)25)11-26-18(12)13-9-14(10-13)20-28-21-16-6-5-7-17(31-4)19(16)27-22(24)30(21)29-20/h5-8,11,13-14H,9-10,25H2,1-4H3,(H2,24,27)
InChIKeyLWYZCAFTYAGRRP-UHFFFAOYSA-N
XLogP3.43
TPSA117.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169150773) is 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C3CC(c4ncc(C(C)(C)N)cc4C)C3)nc21.
What is the InChIKey of 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is LWYZCAFTYAGRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-12-8-15(23(2,3)25)11-26-18(12)13-9-14(10-13)20-28-21-16-6-5-7-17(31-4)19(16)27-22(24)30(21)29-20/h5-8,11,13-14H,9-10,25H2,1-4H3,(H2,24,27).
What are the key properties of 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 417.52 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-aminopropan-2-yl)-3-methyl-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169150773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).