1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide

C20H21N5O2 — CID 97264554

IUPAC1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide
SMILESCOCCn1ccc2c(C(=O)N[C@H](C)c3nnc4ccccn34)cccc21
InChIInChI=1S/C20H21N5O2/c1-14(19-23-22-18-8-3-4-10-25(18)19)21-20(26)16-6-5-7-17-15(16)9-11-24(17)12-13-27-2/h3-11,14H,12-13H2,1-2H3,(H,21,26)/t14-/m1/s1
InChIKeyWYTMFQIPLBJFHM-CQSZACIVSA-N
MW363.42 g/mol
LogP2.82
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide

1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide (PubChem CID 97264554) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide
PubChem CID97264554
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide
SMILESCOCCn1ccc2c(C(=O)N[C@H](C)c3nnc4ccccn34)cccc21
InChIInChI=1S/C20H21N5O2/c1-14(19-23-22-18-8-3-4-10-25(18)19)21-20(26)16-6-5-7-17-15(16)9-11-24(17)12-13-27-2/h3-11,14H,12-13H2,1-2H3,(H,21,26)/t14-/m1/s1
InChIKeyWYTMFQIPLBJFHM-CQSZACIVSA-N
XLogP2.82
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 97267128
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
1-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-5-carboxamide
CID 71706210
2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134030653
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 91638913
N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-propan-2-ylindole-4-carboxamide
CID 125372205
2-(tetrazol-1-yl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 71829200
2-(2-methoxyethoxy)-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 52860674
2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247813
1-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)indole-4-carboxamide
CID 71707694
1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide
CID 96543572
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide (CID 97264554) is 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide is COCCn1ccc2c(C(=O)N[C@H](C)c3nnc4ccccn34)cccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide?
The InChIKey is WYTMFQIPLBJFHM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(19-23-22-18-8-3-4-10-25(18)19)21-20(26)16-6-5-7-17-15(16)9-11-24(17)12-13-27-2/h3-11,14H,12-13H2,1-2H3,(H,21,26)/t14-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide?
1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide is sourced from PubChem (CID 97264554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).