5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide

C15H14ClN7O2 — CID 47047110

IUPAC5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nnc2ccccn12)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C15H14ClN7O2/c16-10-9-17-14(22-5-7-25-8-6-22)18-12(10)13(24)19-15-21-20-11-3-1-2-4-23(11)15/h1-4,9H,5-8H2,(H,19,21,24)
InChIKeyQKLQXOAFJAGECK-UHFFFAOYSA-N
MW359.78 g/mol
LogP1.26
Rot. Bonds3

About 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide

5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide (PubChem CID 47047110) has the molecular formula C15H14ClN7O2 and a molecular weight of 359.78 g/mol. Its IUPAC name is 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide
PubChem CID47047110
Molecular FormulaC15H14ClN7O2
Molecular Weight359.78 g/mol
Exact Mass359.09
IUPAC Name5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nnc2ccccn12)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C15H14ClN7O2/c16-10-9-17-14(22-5-7-25-8-6-22)18-12(10)13(24)19-15-21-20-11-3-1-2-4-23(11)15/h1-4,9H,5-8H2,(H,19,21,24)
InChIKeyQKLQXOAFJAGECK-UHFFFAOYSA-N
XLogP1.26
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 51958351
5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide
CID 47044630
3-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxamide
CID 86817207
5-chloro-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 167847919
5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47052940
5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47044623
5-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47047177
5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 38961107
5-(4-methoxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 53204394
5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide
CID 47026097
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide (CID 47047110) is 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide is O=C(Nc1nnc2ccccn12)c1nc(N2CCOCC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide?
The InChIKey is QKLQXOAFJAGECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7O2/c16-10-9-17-14(22-5-7-25-8-6-22)18-12(10)13(24)19-15-21-20-11-3-1-2-4-23(11)15/h1-4,9H,5-8H2,(H,19,21,24).
What are the key properties of 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide?
5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide has a molecular weight of 359.78 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 47047110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).