(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone

C20H21N5O — CID 129348005

IUPAC(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCn1nnc2c(C(=O)N3CC4(CCCC4)[C@H]3c3ccccc3)ccnc21
InChIInChI=1S/C20H21N5O/c1-24-18-16(22-23-24)15(9-12-21-18)19(26)25-13-20(10-5-6-11-20)17(25)14-7-3-2-4-8-14/h2-4,7-9,12,17H,5-6,10-11,13H2,1H3/t17-/m1/s1
InChIKeyFFZUWJNDJICYSD-QGZVFWFLSA-N
MW347.42 g/mol
LogP3.12
Rot. Bonds2

About (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone

(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 129348005) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID129348005
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCn1nnc2c(C(=O)N3CC4(CCCC4)[C@H]3c3ccccc3)ccnc21
InChIInChI=1S/C20H21N5O/c1-24-18-16(22-23-24)15(9-12-21-18)19(26)25-13-20(10-5-6-11-20)17(25)14-7-3-2-4-8-14/h2-4,7-9,12,17H,5-6,10-11,13H2,1H3/t17-/m1/s1
InChIKeyFFZUWJNDJICYSD-QGZVFWFLSA-N
XLogP3.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone (CID 129348005) is (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone is Cn1nnc2c(C(=O)N3CC4(CCCC4)[C@H]3c3ccccc3)ccnc21.
What is the InChIKey of (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is FFZUWJNDJICYSD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24-18-16(22-23-24)15(9-12-21-18)19(26)25-13-20(10-5-6-11-20)17(25)14-7-3-2-4-8-14/h2-4,7-9,12,17H,5-6,10-11,13H2,1H3/t17-/m1/s1.
What are the key properties of (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone?
(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 129348005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).