2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C29H25N9 — CID 46868852

IUPAC2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccc(CN4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C29H25N9/c1-19-31-29-32-26(24(18-38(29)36-19)21-7-3-2-4-8-21)22-12-10-20(11-13-22)15-37-16-23(17-37)27-33-28(35-34-27)25-9-5-6-14-30-25/h2-14,18,23H,15-17H2,1H3,(H,33,34,35)
InChIKeyWPQSUBWPGDLXMJ-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.55
Rot. Bonds6

About 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 46868852) has the molecular formula C29H25N9 and a molecular weight of 499.58 g/mol. Its IUPAC name is 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID46868852
Molecular FormulaC29H25N9
Molecular Weight499.58 g/mol
Exact Mass499.22
IUPAC Name2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccc(CN4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C29H25N9/c1-19-31-29-32-26(24(18-38(29)36-19)21-7-3-2-4-8-21)22-12-10-20(11-13-22)15-37-16-23(17-37)27-33-28(35-34-27)25-9-5-6-14-30-25/h2-14,18,23H,15-17H2,1H3,(H,33,34,35)
InChIKeyWPQSUBWPGDLXMJ-UHFFFAOYSA-N
XLogP4.55
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 46868852) is 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(-c3ccc(CN4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1.
What is the InChIKey of 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WPQSUBWPGDLXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9/c1-19-31-29-32-26(24(18-38(29)36-19)21-7-3-2-4-8-21)22-12-10-20(11-13-22)15-37-16-23(17-37)27-33-28(35-34-27)25-9-5-6-14-30-25/h2-14,18,23H,15-17H2,1H3,(H,33,34,35).
What are the key properties of 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 499.58 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46868852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).