7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C22H23N5O — CID 118471399

IUPAC7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C2CCCN(Cc3ccc(-c4ccco4)cc3)C2)n2ncnc2n1
InChIInChI=1S/C22H23N5O/c1-16-12-20(27-22(25-16)23-15-24-27)19-4-2-10-26(14-19)13-17-6-8-18(9-7-17)21-5-3-11-28-21/h3,5-9,11-12,15,19H,2,4,10,13-14H2,1H3
InChIKeyLGVADHPYCXWNGM-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.07
Rot. Bonds4

About 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 118471399) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID118471399
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C2CCCN(Cc3ccc(-c4ccco4)cc3)C2)n2ncnc2n1
InChIInChI=1S/C22H23N5O/c1-16-12-20(27-22(25-16)23-15-24-27)19-4-2-10-26(14-19)13-17-6-8-18(9-7-17)21-5-3-11-28-21/h3,5-9,11-12,15,19H,2,4,10,13-14H2,1H3
InChIKeyLGVADHPYCXWNGM-UHFFFAOYSA-N
XLogP4.07
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 118471399) is 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C2CCCN(Cc3ccc(-c4ccco4)cc3)C2)n2ncnc2n1.
What is the InChIKey of 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LGVADHPYCXWNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-12-20(27-22(25-16)23-15-24-27)19-4-2-10-26(14-19)13-17-6-8-18(9-7-17)21-5-3-11-28-21/h3,5-9,11-12,15,19H,2,4,10,13-14H2,1H3.
What are the key properties of 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118471399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).