7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one

C15H17N7O — CID 166306575

IUPAC7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2nc(N3CCCC(Cn4ccnn4)C3)ccc12
InChIInChI=1S/C15H17N7O/c23-15-12-3-4-13(19-14(12)16-10-17-15)21-6-1-2-11(8-21)9-22-7-5-18-20-22/h3-5,7,10-11H,1-2,6,8-9H2,(H,16,17,19,23)
InChIKeyALGCBFLIEMZUCX-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.83
Rot. Bonds3

About 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one

7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 166306575) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID166306575
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2nc(N3CCCC(Cn4ccnn4)C3)ccc12
InChIInChI=1S/C15H17N7O/c23-15-12-3-4-13(19-14(12)16-10-17-15)21-6-1-2-11(8-21)9-22-7-5-18-20-22/h3-5,7,10-11H,1-2,6,8-9H2,(H,16,17,19,23)
InChIKeyALGCBFLIEMZUCX-UHFFFAOYSA-N
XLogP0.83
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 166306575) is 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2nc(N3CCCC(Cn4ccnn4)C3)ccc12.
What is the InChIKey of 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ALGCBFLIEMZUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c23-15-12-3-4-13(19-14(12)16-10-17-15)21-6-1-2-11(8-21)9-22-7-5-18-20-22/h3-5,7,10-11H,1-2,6,8-9H2,(H,16,17,19,23).
What are the key properties of 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one?
7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 311.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(triazol-1-ylmethyl)piperidin-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166306575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).