2-methyl-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

C30H26N8 — CID 70865119

IUPAC2-methyl-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
SMILESCc1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)nc2n1
InChIInChI=1S/C30H26N8/c1-20-15-38-19-25(22-7-3-2-4-8-22)27(33-30(38)32-20)23-12-10-21(11-13-23)16-37-17-24(18-37)28-34-29(36-35-28)26-9-5-6-14-31-26/h2-15,19,24H,16-18H2,1H3,(H,34,35,36)
InChIKeySOHHGORZHYEGRX-UHFFFAOYSA-N
MW498.59 g/mol
LogP5.15
Rot. Bonds6

About 2-methyl-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

2-methyl-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 70865119) has the molecular formula C30H26N8 and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-methyl-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 Name2-methyl-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 CID70865119
Molecular FormulaC30H26N8
Molecular Weight498.59 g/mol
Exact Mass498.23
IUPAC Name2-methyl-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
SMILESCc1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)nc2n1
InChIInChI=1S/C30H26N8/c1-20-15-38-19-25(22-7-3-2-4-8-22)27(33-30(38)32-20)23-12-10-21(11-13-23)16-37-17-24(18-37)28-34-29(36-35-28)26-9-5-6-14-31-26/h2-15,19,24H,16-18H2,1H3,(H,34,35,36)
InChIKeySOHHGORZHYEGRX-UHFFFAOYSA-N
XLogP5.15
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-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 with MolForge

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Related Compounds

2-methyl-7-[4-[[3-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]azetidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine
CID 68755128
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
5-[4-[[3-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]azetidin-1-yl]methyl]phenyl]-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91819633
3-ethyl-5-[4-[[3-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]azetidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine
CID 68752679
2-methyl-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
CID 168810806
5-phenyl-2-(pyridin-2-ylmethyl)-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidine
CID 123855538
5-phenyl-N-pyridin-2-yl-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidin-2-amine
CID 11513128
3-phenyl-2-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 11663661
2-methyl-6-phenyl-5-[4-[[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68753813
6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 25189614
ethane;2-methoxy-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
CID 143208182
2-methyl-6-phenyl-5-[4-[[4-[3-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68752733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-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 2-methyl-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 70865119) is 2-methyl-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 2-methyl-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 2-methyl-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 Cc1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5nc(-c6ccccn6)n[nH]5)C4)cc3)nc2n1.
What is the InChIKey of 2-methyl-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 SOHHGORZHYEGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8/c1-20-15-38-19-25(22-7-3-2-4-8-22)27(33-30(38)32-20)23-12-10-21(11-13-23)16-37-17-24(18-37)28-34-29(36-35-28)26-9-5-6-14-31-26/h2-15,19,24H,16-18H2,1H3,(H,34,35,36).
What are the key properties of 2-methyl-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?
2-methyl-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 498.59 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-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 70865119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).