2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C19H25FN6O — CID 126481045

IUPAC2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(CC(C)(C)F)C3)nc21
InChIInChI=1S/C19H25FN6O/c1-19(2,20)11-25-9-5-6-12(10-25)16-23-17-13-7-4-8-14(27-3)15(13)22-18(21)26(17)24-16/h4,7-8,12H,5-6,9-11H2,1-3H3,(H2,21,22)/t12-/m1/s1
InChIKeyAPLBTVKAKOUMTB-GFCCVEGCSA-N
MW372.45 g/mol
LogP2.80
Rot. Bonds4

About 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 126481045) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID126481045
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(CC(C)(C)F)C3)nc21
InChIInChI=1S/C19H25FN6O/c1-19(2,20)11-25-9-5-6-12(10-25)16-23-17-13-7-4-8-14(27-3)15(13)22-18(21)26(17)24-16/h4,7-8,12H,5-6,9-11H2,1-3H3,(H2,21,22)/t12-/m1/s1
InChIKeyAPLBTVKAKOUMTB-GFCCVEGCSA-N
XLogP2.80
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 126481045) is 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc([C@@H]3CCCN(CC(C)(C)F)C3)nc21.
What is the InChIKey of 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is APLBTVKAKOUMTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-19(2,20)11-25-9-5-6-12(10-25)16-23-17-13-7-4-8-14(27-3)15(13)22-18(21)26(17)24-16/h4,7-8,12H,5-6,9-11H2,1-3H3,(H2,21,22)/t12-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 372.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-fluoro-2-methylpropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 126481045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).