2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide

C21H21N7O — CID 23173252

IUPAC2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide
SMILESCCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(N)=O)nnc12
InChIInChI=1S/C21H21N7O/c1-2-5-17-21-27-26-20(16(19(22)29)10-14-6-3-8-23-11-14)28(21)13-18(25-17)15-7-4-9-24-12-15/h3-4,6-9,11-13,16H,2,5,10H2,1H3,(H2,22,29)
InChIKeyUXEHOSSFEJALAA-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.35
Rot. Bonds7

About 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide

2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide (PubChem CID 23173252) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide
PubChem CID23173252
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide
SMILESCCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(N)=O)nnc12
InChIInChI=1S/C21H21N7O/c1-2-5-17-21-27-26-20(16(19(22)29)10-14-6-3-8-23-11-14)28(21)13-18(25-17)15-7-4-9-24-12-15/h3-4,6-9,11-13,16H,2,5,10H2,1H3,(H2,22,29)
InChIKeyUXEHOSSFEJALAA-UHFFFAOYSA-N
XLogP2.35
TPSA111.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide
CID 22849917
N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide
CID 67905377
N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide
CID 14787985
ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
CID 139617261
3-(1H-imidazol-5-yl)-2-(8-propan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid
CID 57223838
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
N-[(1S)-2-cyclohexyl-1-(5-oxo-4-propan-2-yloxolan-2-yl)ethyl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)acetamide
CID 57293473
(2S,4S)-6-cyclohexyl-4-hydroxy-N-methyl-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)acetyl]amino]hexanamide
CID 56999217
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
1-pentyl-4-pyridin-3-ylimidazol-2-amine
CID 162675846

Frequently Asked Questions

What is the IUPAC name of 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide (CID 23173252) is 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide is CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(N)=O)nnc12.
What is the InChIKey of 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is UXEHOSSFEJALAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-2-5-17-21-27-26-20(16(19(22)29)10-14-6-3-8-23-11-14)28(21)13-18(25-17)15-7-4-9-24-12-15/h3-4,6-9,11-13,16H,2,5,10H2,1H3,(H2,22,29).
What are the key properties of 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide?
2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 387.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 23173252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).