4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C18H21N7 — CID 56753040

IUPAC4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1ccn2c(C3CCCN(c4ncnc5c4CCNC5)C3)nnc2c1
InChIInChI=1S/C18H21N7/c1-2-9-25-16(5-1)22-23-17(25)13-4-3-8-24(11-13)18-14-6-7-19-10-15(14)20-12-21-18/h1-2,5,9,12-13,19H,3-4,6-8,10-11H2
InChIKeyINCCCSVVFFAYLD-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.55
Rot. Bonds2

About 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 56753040) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID56753040
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1ccn2c(C3CCCN(c4ncnc5c4CCNC5)C3)nnc2c1
InChIInChI=1S/C18H21N7/c1-2-9-25-16(5-1)22-23-17(25)13-4-3-8-24(11-13)18-14-6-7-19-10-15(14)20-12-21-18/h1-2,5,9,12-13,19H,3-4,6-8,10-11H2
InChIKeyINCCCSVVFFAYLD-UHFFFAOYSA-N
XLogP1.55
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

5,6-dimethyl-4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 17489572
3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18126831
3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86797164
4-[3-(3-chlorophenyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56757156
3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 56899043
5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 133358948
3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 42955986
6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 24590309
3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 17418452
(2S)-2-phenyl-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine
CID 95225856
5-nitro-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]benzonitrile
CID 18101762
4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine
CID 163358074

Frequently Asked Questions

What is the IUPAC name of 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 56753040) is 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is c1ccn2c(C3CCCN(c4ncnc5c4CCNC5)C3)nnc2c1.
What is the InChIKey of 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is INCCCSVVFFAYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-2-9-25-16(5-1)22-23-17(25)13-4-3-8-24(11-13)18-14-6-7-19-10-15(14)20-12-21-18/h1-2,5,9,12-13,19H,3-4,6-8,10-11H2.
What are the key properties of 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 335.42 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 56753040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).