1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one

C23H24N6O2 — CID 172659463

IUPAC1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C23H24N6O2/c1-15-7-9-27(10-8-17-13-24-19-6-4-3-5-18(17)19)22(30)21(15)23(31)28-11-12-29-16(2)25-26-20(29)14-28/h3-7,9,13,24H,8,10-12,14H2,1-2H3
InChIKeySNUJXSRHAHNIPO-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one

1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one (PubChem CID 172659463) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one
PubChem CID172659463
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C23H24N6O2/c1-15-7-9-27(10-8-17-13-24-19-6-4-3-5-18(17)19)22(30)21(15)23(31)28-11-12-29-16(2)25-26-20(29)14-28/h3-7,9,13,24H,8,10-12,14H2,1-2H3
InChIKeySNUJXSRHAHNIPO-UHFFFAOYSA-N
XLogP2.44
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one with MolForge

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Related Compounds

1-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]piperidine-4-carbonitrile
CID 172667155
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one
CID 172657082
7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172658963
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one
CID 172660787
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 172669885
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 172664377
N-[[4-(hydroxymethyl)phenyl]methyl]-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 175641174
3-(1H-indol-3-yl)-1-[3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 92625414
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172657411
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide
CID 172672931
N-(cyclopropylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172658576
2-(1H-indol-3-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
CID 91910721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one (CID 172659463) is 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one is Cc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CCn2c(C)nnc2C1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one?
The InChIKey is SNUJXSRHAHNIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-7-9-27(10-8-17-13-24-19-6-4-3-5-18(17)19)22(30)21(15)23(31)28-11-12-29-16(2)25-26-20(29)14-28/h3-7,9,13,24H,8,10-12,14H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one?
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one has a molecular weight of 416.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one is sourced from PubChem (CID 172659463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).