6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine

C29H24N8 — CID 46868851

IUPAC6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)cc1
InChIInChI=1S/C29H24N8/c1-2-6-21(7-3-1)24-19-37-15-14-31-29(37)32-26(24)22-11-9-20(10-12-22)16-36-17-23(18-36)27-33-28(35-34-27)25-8-4-5-13-30-25/h1-15,19,23H,16-18H2,(H,33,34,35)
InChIKeyQRHLAQBHEIPVFR-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.84
Rot. Bonds6

About 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine

6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 46868851) has the molecular formula C29H24N8 and a molecular weight of 484.57 g/mol. Its IUPAC name is 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
PubChem CID46868851
Molecular FormulaC29H24N8
Molecular Weight484.57 g/mol
Exact Mass484.21
IUPAC Name6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)cc1
InChIInChI=1S/C29H24N8/c1-2-6-21(7-3-1)24-19-37-15-14-31-29(37)32-26(24)22-11-9-20(10-12-22)16-36-17-23(18-36)27-33-28(35-34-27)25-8-4-5-13-30-25/h1-15,19,23H,16-18H2,(H,33,34,35)
InChIKeyQRHLAQBHEIPVFR-UHFFFAOYSA-N
XLogP4.84
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine (CID 46868851) is 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine is c1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)cc1.
What is the InChIKey of 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is QRHLAQBHEIPVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N8/c1-2-6-21(7-3-1)24-19-37-15-14-31-29(37)32-26(24)22-11-9-20(10-12-22)16-36-17-23(18-36)27-33-28(35-34-27)25-8-4-5-13-30-25/h1-15,19,23H,16-18H2,(H,33,34,35).
What are the key properties of 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 484.57 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 46868851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).