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

C21H20F3N7O — CID 167359157

IUPAC7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cnccc4C(F)(F)F)C3)nc21
InChIInChI=1S/C21H20F3N7O/c1-32-16-6-2-5-13-17(16)27-20(25)31-19(13)28-18(29-31)12-4-3-9-30(11-12)15-10-26-8-7-14(15)21(22,23)24/h2,5-8,10,12H,3-4,9,11H2,1H3,(H2,25,27)/t12-/m1/s1
InChIKeyWUVXXCJQBDLBRM-GFCCVEGCSA-N
MW443.43 g/mol
LogP3.67
Rot. Bonds3

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

7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 167359157) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is 7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID167359157
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC Name7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cnccc4C(F)(F)F)C3)nc21
InChIInChI=1S/C21H20F3N7O/c1-32-16-6-2-5-13-17(16)27-20(25)31-19(13)28-18(29-31)12-4-3-9-30(11-12)15-10-26-8-7-14(15)21(22,23)24/h2,5-8,10,12H,3-4,9,11H2,1H3,(H2,25,27)/t12-/m1/s1
InChIKeyWUVXXCJQBDLBRM-GFCCVEGCSA-N
XLogP3.67
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 167359157) is 7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cnccc4C(F)(F)F)C3)nc21.
What is the InChIKey of 7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is WUVXXCJQBDLBRM-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-32-16-6-2-5-13-17(16)27-20(25)31-19(13)28-18(29-31)12-4-3-9-30(11-12)15-10-26-8-7-14(15)21(22,23)24/h2,5-8,10,12H,3-4,9,11H2,1H3,(H2,25,27)/t12-/m1/s1.
What are the key properties of 7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 443.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(3R)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 167359157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).