6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H26N6O2S — CID 56576440

IUPAC6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCc3n[nH]c(=S)n3C3CC3)c12
InChIInChI=1S/C21H26N6O2S/c1-21(2,3)9-15-17-13(8-14(11-4-5-11)23-19(17)29-26-15)18(28)22-10-16-24-25-20(30)27(16)12-6-7-12/h8,11-12H,4-7,9-10H2,1-3H3,(H,22,28)(H,25,30)
InChIKeyMOOKUQQAIQGDRS-UHFFFAOYSA-N
MW426.55 g/mol
LogP4.21
Rot. Bonds6

About 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56576440) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID56576440
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCc3n[nH]c(=S)n3C3CC3)c12
InChIInChI=1S/C21H26N6O2S/c1-21(2,3)9-15-17-13(8-14(11-4-5-11)23-19(17)29-26-15)18(28)22-10-16-24-25-20(30)27(16)12-6-7-12/h8,11-12H,4-7,9-10H2,1-3H3,(H,22,28)(H,25,30)
InChIKeyMOOKUQQAIQGDRS-UHFFFAOYSA-N
XLogP4.21
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119504737
N-(4-aminocyclohexyl)-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119474529
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570635
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635024
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112833724
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 95192006
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138998287
6-cyclopropyl-3-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119513187
2-[1-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]acetic acid
CID 120515436
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538539
(3-aminopiperidin-1-yl)-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119377261
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119348501

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 56576440) is 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCc3n[nH]c(=S)n3C3CC3)c12.
What is the InChIKey of 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MOOKUQQAIQGDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-21(2,3)9-15-17-13(8-14(11-4-5-11)23-19(17)29-26-15)18(28)22-10-16-24-25-20(30)27(16)12-6-7-12/h8,11-12H,4-7,9-10H2,1-3H3,(H,22,28)(H,25,30).
What are the key properties of 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 426.55 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56576440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).