(2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide

C25H28N6O3 — CID 170008932

IUPAC(2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide
SMILESCCn1cc(C(=O)N2CCCC2)c2cc(-c3ccn4nc(NC(=O)[C@H](C)OC)nc4c3)ccc21
InChIInChI=1S/C25H28N6O3/c1-4-29-15-20(24(33)30-10-5-6-11-30)19-13-17(7-8-21(19)29)18-9-12-31-22(14-18)26-25(28-31)27-23(32)16(2)34-3/h7-9,12-16H,4-6,10-11H2,1-3H3,(H,27,28,32)/t16-/m0/s1
InChIKeyHINDUBFISWFGRP-INIZCTEOSA-N
MW460.54 g/mol
LogP3.58
Rot. Bonds6

About (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide

(2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide (PubChem CID 170008932) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide
PubChem CID170008932
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name(2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide
SMILESCCn1cc(C(=O)N2CCCC2)c2cc(-c3ccn4nc(NC(=O)[C@H](C)OC)nc4c3)ccc21
InChIInChI=1S/C25H28N6O3/c1-4-29-15-20(24(33)30-10-5-6-11-30)19-13-17(7-8-21(19)29)18-9-12-31-22(14-18)26-25(28-31)27-23(32)16(2)34-3/h7-9,12-16H,4-6,10-11H2,1-3H3,(H,27,28,32)/t16-/m0/s1
InChIKeyHINDUBFISWFGRP-INIZCTEOSA-N
XLogP3.58
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide?
The IUPAC name of (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide (CID 170008932) is (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide.
What is the SMILES notation for (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide?
The canonical SMILES for (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide is CCn1cc(C(=O)N2CCCC2)c2cc(-c3ccn4nc(NC(=O)[C@H](C)OC)nc4c3)ccc21.
What is the InChIKey of (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide?
The InChIKey is HINDUBFISWFGRP-INIZCTEOSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-4-29-15-20(24(33)30-10-5-6-11-30)19-13-17(7-8-21(19)29)18-9-12-31-22(14-18)26-25(28-31)27-23(32)16(2)34-3/h7-9,12-16H,4-6,10-11H2,1-3H3,(H,27,28,32)/t16-/m0/s1.
What are the key properties of (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide?
(2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide has a molecular weight of 460.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide is sourced from PubChem (CID 170008932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).