2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine

C19H19N7 — CID 155799366

IUPAC2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine
SMILESCc1cc(N2CCC(c3ccc4cccnc4n3)CC2)n2ncnc2n1
InChIInChI=1S/C19H19N7/c1-13-11-17(26-19(23-13)21-12-22-26)25-9-6-14(7-10-25)16-5-4-15-3-2-8-20-18(15)24-16/h2-5,8,11-12,14H,6-7,9-10H2,1H3
InChIKeyITOUYLSYQHVDNB-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.76
Rot. Bonds2

About 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine

2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine (PubChem CID 155799366) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine
PubChem CID155799366
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine
SMILESCc1cc(N2CCC(c3ccc4cccnc4n3)CC2)n2ncnc2n1
InChIInChI=1S/C19H19N7/c1-13-11-17(26-19(23-13)21-12-22-26)25-9-6-14(7-10-25)16-5-4-15-3-2-8-20-18(15)24-16/h2-5,8,11-12,14H,6-7,9-10H2,1H3
InChIKeyITOUYLSYQHVDNB-UHFFFAOYSA-N
XLogP2.76
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine?
The IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine (CID 155799366) is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine?
The canonical SMILES for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine is Cc1cc(N2CCC(c3ccc4cccnc4n3)CC2)n2ncnc2n1.
What is the InChIKey of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine?
The InChIKey is ITOUYLSYQHVDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-13-11-17(26-19(23-13)21-12-22-26)25-9-6-14(7-10-25)16-5-4-15-3-2-8-20-18(15)24-16/h2-5,8,11-12,14H,6-7,9-10H2,1H3.
What are the key properties of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine?
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine has a molecular weight of 345.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,8-naphthyridine is sourced from PubChem (CID 155799366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).