(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide

C19H24N4OS2 — CID 26009015

IUPAC(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
SMILESO=C(NCc1nnc2ccccn12)C1C[C@H]2CCC[C@@H](C1)C21SCCS1
InChIInChI=1S/C19H24N4OS2/c24-18(20-12-17-22-21-16-6-1-2-7-23(16)17)13-10-14-4-3-5-15(11-13)19(14)25-8-9-26-19/h1-2,6-7,13-15H,3-5,8-12H2,(H,20,24)/t13?,14-,15+
InChIKeyBAKMLVNZAIAMDD-GOOCMWNKSA-N
MW388.56 g/mol
LogP3.35
Rot. Bonds3

About (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide

(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide (PubChem CID 26009015) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide.

Molecular Properties

Compound Name(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
PubChem CID26009015
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC Name(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
SMILESO=C(NCc1nnc2ccccn12)C1C[C@H]2CCC[C@@H](C1)C21SCCS1
InChIInChI=1S/C19H24N4OS2/c24-18(20-12-17-22-21-16-6-1-2-7-23(16)17)13-10-14-4-3-5-15(11-13)19(14)25-8-9-26-19/h1-2,6-7,13-15H,3-5,8-12H2,(H,20,24)/t13?,14-,15+
InChIKeyBAKMLVNZAIAMDD-GOOCMWNKSA-N
XLogP3.35
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide with MolForge

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Related Compounds

3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119833088
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
cis-(1S,2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365838
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 60717518
2-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64823445
2-cyclohexyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39761250
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 91765217
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 71941343
cis-(1S,2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94035247
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119833084
2-(azepan-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 131897084
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191

Frequently Asked Questions

What is the IUPAC name of (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide?
The IUPAC name of (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide (CID 26009015) is (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide.
What is the SMILES notation for (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide?
The canonical SMILES for (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide is O=C(NCc1nnc2ccccn12)C1C[C@H]2CCC[C@@H](C1)C21SCCS1.
What is the InChIKey of (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide?
The InChIKey is BAKMLVNZAIAMDD-GOOCMWNKSA-N. The full InChI is InChI=1S/C19H24N4OS2/c24-18(20-12-17-22-21-16-6-1-2-7-23(16)17)13-10-14-4-3-5-15(11-13)19(14)25-8-9-26-19/h1-2,6-7,13-15H,3-5,8-12H2,(H,20,24)/t13?,14-,15+.
What are the key properties of (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide?
(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide is sourced from PubChem (CID 26009015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).