(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one

C18H23N5O — CID 95311791

IUPAC(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
SMILESC[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C18H23N5O/c1-12-9-14-5-3-4-6-16(14)23(12)18(24)13(2)21-15-7-8-17-19-11-20-22(17)10-15/h3-6,11-13,15,21H,7-10H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyKXTSGCDLPOAKRP-KCQAQPDRSA-N
MW325.42 g/mol
LogP1.55
Rot. Bonds3

About (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one

(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one (PubChem CID 95311791) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
PubChem CID95311791
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
SMILESC[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C18H23N5O/c1-12-9-14-5-3-4-6-16(14)23(12)18(24)13(2)21-15-7-8-17-19-11-20-22(17)10-15/h3-6,11-13,15,21H,7-10H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyKXTSGCDLPOAKRP-KCQAQPDRSA-N
XLogP1.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one with MolForge

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Related Compounds

4-[(2S)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95298846
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 100840996
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-2-ylsulfanylpropan-1-one
CID 41299266
(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 37303795
5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122058030
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982
1-(2-propan-2-ylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800724
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one?
The IUPAC name of (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one (CID 95311791) is (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one.
What is the SMILES notation for (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one?
The canonical SMILES for (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one is C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one?
The InChIKey is KXTSGCDLPOAKRP-KCQAQPDRSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-9-14-5-3-4-6-16(14)23(12)18(24)13(2)21-15-7-8-17-19-11-20-22(17)10-15/h3-6,11-13,15,21H,7-10H2,1-2H3/t12-,13-,15+/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one?
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one has a molecular weight of 325.42 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one is sourced from PubChem (CID 95311791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).