4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide

C23H27N5OS — CID 86207201

IUPAC4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
SMILESCSCCC(NC(=O)CCCc1cn(C)c2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C23H27N5OS/c1-27-16-17(18-9-3-4-10-20(18)27)8-7-12-22(29)24-19(13-15-30-2)23-26-25-21-11-5-6-14-28(21)23/h3-6,9-11,14,16,19H,7-8,12-13,15H2,1-2H3,(H,24,29)
InChIKeyKCFKEWSJPNFITN-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.15
Rot. Bonds9

About 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide

4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide (PubChem CID 86207201) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
PubChem CID86207201
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
SMILESCSCCC(NC(=O)CCCc1cn(C)c2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C23H27N5OS/c1-27-16-17(18-9-3-4-10-20(18)27)8-7-12-22(29)24-19(13-15-30-2)23-26-25-21-11-5-6-14-28(21)23/h3-6,9-11,14,16,19H,7-8,12-13,15H2,1-2H3,(H,24,29)
InChIKeyKCFKEWSJPNFITN-UHFFFAOYSA-N
XLogP4.15
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
CID 124846200
3-(3-acetylindol-1-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 171145150
4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide
CID 51279614
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 71828310
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
1-methyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxoquinoline-4-carboxamide
CID 118985688
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 125432049
2,2,2-trichloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474192
3-(3-chlorophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 51278371
2-(4-aminophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide;dihydrochloride
CID 119837153

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide?
The IUPAC name of 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide (CID 86207201) is 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide.
What is the SMILES notation for 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide?
The canonical SMILES for 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide is CSCCC(NC(=O)CCCc1cn(C)c2ccccc12)c1nnc2ccccn12.
What is the InChIKey of 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide?
The InChIKey is KCFKEWSJPNFITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-27-16-17(18-9-3-4-10-20(18)27)8-7-12-22(29)24-19(13-15-30-2)23-26-25-21-11-5-6-14-28(21)23/h3-6,9-11,14,16,19H,7-8,12-13,15H2,1-2H3,(H,24,29).
What are the key properties of 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide?
4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide has a molecular weight of 421.57 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide is sourced from PubChem (CID 86207201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).