methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C15H18N6O3 — CID 155491562

IUPACmethyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(C(=O)C1CCc3ncnn3C1)CC2
InChIInChI=1S/C15H18N6O3/c1-24-15(23)13-10-7-20(5-4-11(10)18-19-13)14(22)9-2-3-12-16-8-17-21(12)6-9/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyYPBIEIITMAATPJ-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.06
Rot. Bonds2

About methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 155491562) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID155491562
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Namemethyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(C(=O)C1CCc3ncnn3C1)CC2
InChIInChI=1S/C15H18N6O3/c1-24-15(23)13-10-7-20(5-4-11(10)18-19-13)14(22)9-2-3-12-16-8-17-21(12)6-9/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyYPBIEIITMAATPJ-UHFFFAOYSA-N
XLogP-0.06
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(3R,6S)-1-acetyl-6-aminoazepane-3-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 166599684
7,8-dihydro-5H-1,6-naphthyridin-6-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155503871
[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride
CID 163334514
acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155972591
5-(cyclobutanecarbonyl)-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873553
methyl 6-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580268
5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146046787
(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride
CID 163334523
17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
CID 157014434
(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 154820407
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 170512212
5-(cyclobutanecarbonyl)-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873570

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 155491562) is methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2c1CN(C(=O)C1CCc3ncnn3C1)CC2.
What is the InChIKey of methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is YPBIEIITMAATPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-24-15(23)13-10-7-20(5-4-11(10)18-19-13)14(22)9-2-3-12-16-8-17-21(12)6-9/h8-9H,2-7H2,1H3,(H,18,19).
What are the key properties of methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 330.35 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 155491562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).