ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

C18H23F3N4O — CID 144801777

IUPACethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESCC.Cc1nc2c(C3=CCN(C(=O)CCC(F)(F)F)CC3)cccn2n1
InChIInChI=1S/C16H17F3N4O.C2H6/c1-11-20-15-13(3-2-8-23(15)21-11)12-5-9-22(10-6-12)14(24)4-7-16(17,18)19;1-2/h2-3,5,8H,4,6-7,9-10H2,1H3;1-2H3
InChIKeyCAGHMAIKDFFMEZ-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.02
Rot. Bonds3

About ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one (PubChem CID 144801777) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one.

Molecular Properties

Compound Nameethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
PubChem CID144801777
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Nameethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESCC.Cc1nc2c(C3=CCN(C(=O)CCC(F)(F)F)CC3)cccn2n1
InChIInChI=1S/C16H17F3N4O.C2H6/c1-11-20-15-13(3-2-8-23(15)21-11)12-5-9-22(10-6-12)14(24)4-7-16(17,18)19;1-2/h2-3,5,8H,4,6-7,9-10H2,1H3;1-2H3
InChIKeyCAGHMAIKDFFMEZ-UHFFFAOYSA-N
XLogP4.02
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one with MolForge

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Related Compounds

4,4,4-trifluoro-1-[4-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 121434816
4,4,4-trifluoro-1-[4-[2-[4-[hydroxy-[2-(6-methyl-2-pyridinyl)ethylamino]methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 139362612
4,4,4-trifluoro-1-[4-[2-[[4-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 148850747
4,4,4-trifluoro-1-[4-[2-[[4-(8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 147815054
4,4,4-trifluoro-1-[4-[2-[4-(4-pyridin-3-ylpiperazine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 121434977
4,4,4-trifluoro-1-[4-[2-[[4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 148947299
N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 121434885
4,4,4-trifluoro-1-[4-[2-[4-[hydroxy-(2-pyridin-2-ylethylamino)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 139362699
N-methyl-1-(2-phenylethyl)-4-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoyl]piperazine-2-carboxamide
CID 153173860
4,4,4-trifluoro-1-[4-[2-[4-(6-oxa-3,8-diazabicyclo[3.2.2]nonane-8-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 123277343
2,2,2-trifluoroethyl 4-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434766
ethyl 4-[2-[4-[dimethylamino(ethyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434896

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The IUPAC name of ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one (CID 144801777) is ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one.
What is the SMILES notation for ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The canonical SMILES for ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one is CC.Cc1nc2c(C3=CCN(C(=O)CCC(F)(F)F)CC3)cccn2n1.
What is the InChIKey of ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The InChIKey is CAGHMAIKDFFMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O.C2H6/c1-11-20-15-13(3-2-8-23(15)21-11)12-5-9-22(10-6-12)14(24)4-7-16(17,18)19;1-2/h2-3,5,8H,4,6-7,9-10H2,1H3;1-2H3.
What are the key properties of ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one has a molecular weight of 368.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,4-trifluoro-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one is sourced from PubChem (CID 144801777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).