3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide

C19H21N5O2 — CID 9120452

IUPAC3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2nnc3ccccn23)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H21N5O2/c1-11-16-12(8-19(2,3)9-13(16)25)21-17(11)18(26)20-10-15-23-22-14-6-4-5-7-24(14)15/h4-7,21H,8-10H2,1-3H3,(H,20,26)
InChIKeyUNMFHDCIVFAKBC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.45
Rot. Bonds3

About 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide

3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 9120452) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID9120452
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2nnc3ccccn23)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H21N5O2/c1-11-16-12(8-19(2,3)9-13(16)25)21-17(11)18(26)20-10-15-23-22-14-6-4-5-7-24(14)15/h4-7,21H,8-10H2,1-3H3,(H,20,26)
InChIKeyUNMFHDCIVFAKBC-UHFFFAOYSA-N
XLogP2.45
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47009313
methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 51187269
3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide
CID 24678094
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-[1-[(2-hydroxyphenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170260060
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide
CID 134025012
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide (CID 9120452) is 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide is Cc1c(C(=O)NCc2nnc3ccccn23)[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is UNMFHDCIVFAKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-16-12(8-19(2,3)9-13(16)25)21-17(11)18(26)20-10-15-23-22-14-6-4-5-7-24(14)15/h4-7,21H,8-10H2,1-3H3,(H,20,26).
What are the key properties of 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide?
3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 9120452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).