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

C18H23N5O — CID 56781313

IUPAC1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one
SMILESCc1nc2n(n1)CC(NCCC(=O)N1CCc3ccccc31)CC2
InChIInChI=1S/C18H23N5O/c1-13-20-17-7-6-15(12-23(17)21-13)19-10-8-18(24)22-11-9-14-4-2-3-5-16(14)22/h2-5,15,19H,6-12H2,1H3
InChIKeyKEFAFCFYPMXGOF-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.47
Rot. Bonds4

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

1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one (PubChem CID 56781313) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one
PubChem CID56781313
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one
SMILESCc1nc2n(n1)CC(NCCC(=O)N1CCc3ccccc31)CC2
InChIInChI=1S/C18H23N5O/c1-13-20-17-7-6-15(12-23(17)21-13)19-10-8-18(24)22-11-9-14-4-2-3-5-16(14)22/h2-5,15,19H,6-12H2,1H3
InChIKeyKEFAFCFYPMXGOF-UHFFFAOYSA-N
XLogP1.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-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

1-(2,3-dihydroindol-1-yl)-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95612111
1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
CID 95612124
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95345919
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
CID 95347987
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048
(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 90682463
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95344349

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one (CID 56781313) is 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-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 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one is Cc1nc2n(n1)CC(NCCC(=O)N1CCc3ccccc31)CC2.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one?
The InChIKey is KEFAFCFYPMXGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-20-17-7-6-15(12-23(17)21-13)19-10-8-18(24)22-11-9-14-4-2-3-5-16(14)22/h2-5,15,19H,6-12H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-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 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one is sourced from PubChem (CID 56781313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).