2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide

C24H25N7O2S — CID 169054028

IUPAC2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide
SMILESCC(Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1[nH]c2c(c1C(N)=O)CCC2
InChIInChI=1S/C24H25N7O2S/c1-12(23(33)28-21-19(20(25)32)15-6-4-8-18(15)27-21)34-24-30-29-22(31(24)13-9-10-13)16-11-26-17-7-3-2-5-14(16)17/h2-3,5,7,11-13,26-27H,4,6,8-10H2,1H3,(H2,25,32)(H,28,33)
InChIKeyLFPHHFDRAHPSIE-UHFFFAOYSA-N
MW475.58 g/mol
LogP3.80
Rot. Bonds7

About 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide

2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide (PubChem CID 169054028) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide
PubChem CID169054028
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC Name2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide
SMILESCC(Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1[nH]c2c(c1C(N)=O)CCC2
InChIInChI=1S/C24H25N7O2S/c1-12(23(33)28-21-19(20(25)32)15-6-4-8-18(15)27-21)34-24-30-29-22(31(24)13-9-10-13)16-11-26-17-7-3-2-5-14(16)17/h2-3,5,7,11-13,26-27H,4,6,8-10H2,1H3,(H2,25,32)(H,28,33)
InChIKeyLFPHHFDRAHPSIE-UHFFFAOYSA-N
XLogP3.80
TPSA134.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide with MolForge

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Related Compounds

(2R)-N-cyclohexyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 135724611
(2S)-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 136772420
(2S)-N-cyclopropyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 135724608
(2R)-N-tert-butyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 135892398
(2S)-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 135724584
(2S)-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 135840129
(2R)-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 135724585
(2R)-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 135724616
(2S)-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 135892354
(2R)-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 136772177
3-[4-cyclopropyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
CID 135623263
2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 135623476

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide?
The IUPAC name of 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide (CID 169054028) is 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide.
What is the SMILES notation for 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide?
The canonical SMILES for 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide is CC(Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1[nH]c2c(c1C(N)=O)CCC2.
What is the InChIKey of 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide?
The InChIKey is LFPHHFDRAHPSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S/c1-12(23(33)28-21-19(20(25)32)15-6-4-8-18(15)27-21)34-24-30-29-22(31(24)13-9-10-13)16-11-26-17-7-3-2-5-14(16)17/h2-3,5,7,11-13,26-27H,4,6,8-10H2,1H3,(H2,25,32)(H,28,33).
What are the key properties of 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide?
2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 3.80, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxamide is sourced from PubChem (CID 169054028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).