4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide

C17H19N7O2 — CID 136537092

IUPAC4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1
InChIInChI=1S/C17H19N7O2/c1-26-13-5-6-18-14(8-13)17(25)20-12-9-19-23(10-12)11-16-22-21-15-4-2-3-7-24(15)16/h5-6,8-10H,2-4,7,11H2,1H3,(H,20,25)
InChIKeyWRYGBIGUBYQMEK-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.52
Rot. Bonds5

About 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide

4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 136537092) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID136537092
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1
InChIInChI=1S/C17H19N7O2/c1-26-13-5-6-18-14(8-13)17(25)20-12-9-19-23(10-12)11-16-22-21-15-4-2-3-7-24(15)16/h5-6,8-10H,2-4,7,11H2,1H3,(H,20,25)
InChIKeyWRYGBIGUBYQMEK-UHFFFAOYSA-N
XLogP1.52
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]acetamide
CID 166219106
3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide
CID 136537089
4-[[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]amino]methyl]benzoic acid
CID 122033581
1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146081871
3-methoxy-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 47017151
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CID 51326159
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazole-4-sulfonyl chloride
CID 25248740
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414149
4-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 99249750
4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602593
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 7267269
N-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838091

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 136537092) is 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide is COc1ccnc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1.
What is the InChIKey of 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is WRYGBIGUBYQMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-26-13-5-6-18-14(8-13)17(25)20-12-9-19-23(10-12)11-16-22-21-15-4-2-3-7-24(15)16/h5-6,8-10H,2-4,7,11H2,1H3,(H,20,25).
What are the key properties of 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide?
4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 136537092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).