6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C17H20N4O4 — CID 162360985

IUPAC6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC=C(c2cn3ncnc3cc2C(=O)O)CC1
InChIInChI=1S/C17H20N4O4/c1-17(2,3)25-16(24)20-6-4-11(5-7-20)13-9-21-14(18-10-19-21)8-12(13)15(22)23/h4,8-10H,5-7H2,1-3H3,(H,22,23)
InChIKeyCHFGGKUDCCIDOW-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.45
Rot. Bonds2

About 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 162360985) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID162360985
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC=C(c2cn3ncnc3cc2C(=O)O)CC1
InChIInChI=1S/C17H20N4O4/c1-17(2,3)25-16(24)20-6-4-11(5-7-20)13-9-21-14(18-10-19-21)8-12(13)15(22)23/h4,8-10H,5-7H2,1-3H3,(H,22,23)
InChIKeyCHFGGKUDCCIDOW-UHFFFAOYSA-N
XLogP2.45
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 168797668
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654
tert-butyl 4-(2-amino-5-bromo-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155425853
tert-butyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90188820
tert-butyl 4-(5-fluoro-2,4-dihydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 67422663
tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162752705
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-2-(trifluoromethyl)benzoic acid
CID 134159387
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]quinazoline-7-carboxylic acid
CID 139469222
tert-butyl 4-(2,3,4-trimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158431338
tert-butyl 4-(5-bromopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122482495
tert-butyl 4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170565077

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 162360985) is 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is CC(C)(C)OC(=O)N1CC=C(c2cn3ncnc3cc2C(=O)O)CC1.
What is the InChIKey of 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is CHFGGKUDCCIDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-17(2,3)25-16(24)20-6-4-11(5-7-20)13-9-21-14(18-10-19-21)8-12(13)15(22)23/h4,8-10H,5-7H2,1-3H3,(H,22,23).
What are the key properties of 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 162360985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).