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

C22H24FN7O — CID 169150779

IUPAC2-[3-[5-(2-aminopropan-2-yl)-3-fluoro-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4ncc(C(C)(C)N)cc4F)C3)nc21
InChIInChI=1S/C22H24FN7O/c1-22(2,25)13-9-15(23)17(26-10-13)11-7-12(8-11)19-28-20-14-5-4-6-16(31-3)18(14)27-21(24)30(20)29-19/h4-6,9-12H,7-8,25H2,1-3H3,(H2,24,27)
InChIKeyQOGWDDMRDGPUJD-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.26
Rot. Bonds4

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

2-[3-[5-(2-aminopropan-2-yl)-3-fluoro-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169150779) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[3-[5-(2-aminopropan-2-yl)-3-fluoro-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-fluoro-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169150779
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name2-[3-[5-(2-aminopropan-2-yl)-3-fluoro-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4ncc(C(C)(C)N)cc4F)C3)nc21
InChIInChI=1S/C22H24FN7O/c1-22(2,25)13-9-15(23)17(26-10-13)11-7-12(8-11)19-28-20-14-5-4-6-16(31-3)18(14)27-21(24)30(20)29-19/h4-6,9-12H,7-8,25H2,1-3H3,(H2,24,27)
InChIKeyQOGWDDMRDGPUJD-UHFFFAOYSA-N
XLogP3.26
TPSA117.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-3-fluoro-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-fluoro-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169150779) is 2-[3-[5-(2-aminopropan-2-yl)-3-fluoro-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-fluoro-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-fluoro-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)cc4F)C3)nc21.
What is the InChIKey of 2-[3-[5-(2-aminopropan-2-yl)-3-fluoro-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is QOGWDDMRDGPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-22(2,25)13-9-15(23)17(26-10-13)11-7-12(8-11)19-28-20-14-5-4-6-16(31-3)18(14)27-21(24)30(20)29-19/h4-6,9-12H,7-8,25H2,1-3H3,(H2,24,27).
What are the key properties of 2-[3-[5-(2-aminopropan-2-yl)-3-fluoro-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[3-[5-(2-aminopropan-2-yl)-3-fluoro-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 421.48 g/mol, XLogP of 3.26, 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-fluoro-2-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169150779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).