(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C20H24N4S — CID 129335525

IUPAC(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESc1ccn2c(CN(Cc3ccsc3)[C@@H]3CC34CCNCC4)cnc2c1
InChIInChI=1S/C20H24N4S/c1-2-9-24-17(12-22-19(24)3-1)14-23(13-16-4-10-25-15-16)18-11-20(18)5-7-21-8-6-20/h1-4,9-10,12,15,18,21H,5-8,11,13-14H2/t18-/m1/s1
InChIKeyISZIRTZRLFFGAU-GOSISDBHSA-N
MW352.51 g/mol
LogP3.54
Rot. Bonds5

About (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine

(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 129335525) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID129335525
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESc1ccn2c(CN(Cc3ccsc3)[C@@H]3CC34CCNCC4)cnc2c1
InChIInChI=1S/C20H24N4S/c1-2-9-24-17(12-22-19(24)3-1)14-23(13-16-4-10-25-15-16)18-11-20(18)5-7-21-8-6-20/h1-4,9-10,12,15,18,21H,5-8,11,13-14H2/t18-/m1/s1
InChIKeyISZIRTZRLFFGAU-GOSISDBHSA-N
XLogP3.54
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 129335525) is (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine is c1ccn2c(CN(Cc3ccsc3)[C@@H]3CC34CCNCC4)cnc2c1.
What is the InChIKey of (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is ISZIRTZRLFFGAU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4S/c1-2-9-24-17(12-22-19(24)3-1)14-23(13-16-4-10-25-15-16)18-11-20(18)5-7-21-8-6-20/h1-4,9-10,12,15,18,21H,5-8,11,13-14H2/t18-/m1/s1.
What are the key properties of (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 352.51 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129335525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).