8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C18H20N8O3 — CID 123237754

IUPAC8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cccn2n1
InChIInChI=1S/C18H20N8O3/c1-23(2)18(29)14-21-15-12(6-4-9-26(15)22-14)20-16(27)13-11(10-19-24(13)3)17(28)25-7-5-8-25/h4,6,9-10H,5,7-8H2,1-3H3,(H,20,27)
InChIKeyUFCMRIQIVVHIAP-UHFFFAOYSA-N
MW396.41 g/mol
LogP0.26
Rot. Bonds4

About 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 123237754) has the molecular formula C18H20N8O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID123237754
Molecular FormulaC18H20N8O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cccn2n1
InChIInChI=1S/C18H20N8O3/c1-23(2)18(29)14-21-15-12(6-4-9-26(15)22-14)20-16(27)13-11(10-19-24(13)3)17(28)25-7-5-8-25/h4,6,9-10H,5,7-8H2,1-3H3,(H,20,27)
InChIKeyUFCMRIQIVVHIAP-UHFFFAOYSA-N
XLogP0.26
TPSA117.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57377746
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415447
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57378287
4-(azetidine-1-carbonyl)-N-(2-bromo-6-methyl-4-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 165415448
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957
4-(azetidine-1-carbonyl)-N-[2-(2-hydroxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 158629431
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 159743631
4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
CID 71295551
4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
CID 67384213

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 123237754) is 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is CN(C)C(=O)c1nc2c(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cccn2n1.
What is the InChIKey of 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is UFCMRIQIVVHIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O3/c1-23(2)18(29)14-21-15-12(6-4-9-26(15)22-14)20-16(27)13-11(10-19-24(13)3)17(28)25-7-5-8-25/h4,6,9-10H,5,7-8H2,1-3H3,(H,20,27).
What are the key properties of 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 123237754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).