N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C18H23N5O2 — CID 30094164

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2nnc3n2CCC3)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H23N5O2/c1-10-15-11(7-18(2,3)8-12(15)24)20-16(10)17(25)19-9-14-22-21-13-5-4-6-23(13)14/h20H,4-9H2,1-3H3,(H,19,25)
InChIKeyKCEYMMAXAMUWNF-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.95
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 30094164) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID30094164
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2nnc3n2CCC3)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H23N5O2/c1-10-15-11(7-18(2,3)8-12(15)24)20-16(10)17(25)19-9-14-22-21-13-5-4-6-23(13)14/h20H,4-9H2,1-3H3,(H,19,25)
InChIKeyKCEYMMAXAMUWNF-UHFFFAOYSA-N
XLogP1.95
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 30094164) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is Cc1c(C(=O)NCc2nnc3n2CCC3)[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is KCEYMMAXAMUWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-10-15-11(7-18(2,3)8-12(15)24)20-16(10)17(25)19-9-14-22-21-13-5-4-6-23(13)14/h20H,4-9H2,1-3H3,(H,19,25).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 30094164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).