2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C18H22N6O — CID 95313954

IUPAC2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2n(n1)C[C@H](NCc1cc(=O)n3cc(C)ccc3n1)CC2
InChIInChI=1S/C18H22N6O/c1-3-15-21-17-7-5-13(11-24(17)22-15)19-9-14-8-18(25)23-10-12(2)4-6-16(23)20-14/h4,6,8,10,13,19H,3,5,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyWTUJSGITPXCFQD-CYBMUJFWSA-N
MW338.42 g/mol
LogP1.26
Rot. Bonds4

About 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 95313954) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID95313954
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2n(n1)C[C@H](NCc1cc(=O)n3cc(C)ccc3n1)CC2
InChIInChI=1S/C18H22N6O/c1-3-15-21-17-7-5-13(11-24(17)22-15)19-9-14-8-18(25)23-10-12(2)4-6-16(23)20-14/h4,6,8,10,13,19H,3,5,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyWTUJSGITPXCFQD-CYBMUJFWSA-N
XLogP1.26
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95344614
2-[[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95351895
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124034
(6R)-2-ethyl-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329760
(6S)-2-ethyl-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329761
(6R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95333899
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119923564
(6S)-2-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95337424
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119923563
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
N-[(4-butoxy-3-ethoxyphenyl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127553

Frequently Asked Questions

What is the IUPAC name of 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 95313954) is 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is CCc1nc2n(n1)C[C@H](NCc1cc(=O)n3cc(C)ccc3n1)CC2.
What is the InChIKey of 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WTUJSGITPXCFQD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6O/c1-3-15-21-17-7-5-13(11-24(17)22-15)19-9-14-8-18(25)23-10-12(2)4-6-16(23)20-14/h4,6,8,10,13,19H,3,5,7,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 338.42 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95313954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).