3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

C18H16BrN5O — CID 71706479

IUPAC3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESO=C(CCn1ccc2c(Br)cccc21)NCc1nnc2ccccn12
InChIInChI=1S/C18H16BrN5O/c19-14-4-3-5-15-13(14)7-10-23(15)11-8-18(25)20-12-17-22-21-16-6-1-2-9-24(16)17/h1-7,9-10H,8,11-12H2,(H,20,25)
InChIKeyCRHHEVUOVGTCAM-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.15
Rot. Bonds5

About 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (PubChem CID 71706479) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
PubChem CID71706479
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESO=C(CCn1ccc2c(Br)cccc21)NCc1nnc2ccccn12
InChIInChI=1S/C18H16BrN5O/c19-14-4-3-5-15-13(14)7-10-23(15)11-8-18(25)20-12-17-22-21-16-6-1-2-9-24(16)17/h1-7,9-10H,8,11-12H2,(H,20,25)
InChIKeyCRHHEVUOVGTCAM-UHFFFAOYSA-N
XLogP3.15
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-1-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 78866152
2-(1-methylindol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 71702217
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
2-bromo-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 115678518
3-(tert-butylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 61274592
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9440861
4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 9021135
3-(phenylcarbamoylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9451649
2-(4-bromophenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021117
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (CID 71706479) is 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is O=C(CCn1ccc2c(Br)cccc21)NCc1nnc2ccccn12.
What is the InChIKey of 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is CRHHEVUOVGTCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c19-14-4-3-5-15-13(14)7-10-23(15)11-8-18(25)20-12-17-22-21-16-6-1-2-9-24(16)17/h1-7,9-10H,8,11-12H2,(H,20,25).
What are the key properties of 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 398.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 71706479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).