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

C30H26FN9 — CID 68753326

IUPAC6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc(-c5cnccn5)n[nH]4)CC3)cc2)cc1
InChIInChI=1S/C30H26FN9/c31-24-7-5-21(6-8-24)25-19-40-16-13-34-30(40)35-27(25)22-3-1-20(2-4-22)18-39-14-9-23(10-15-39)28-36-29(38-37-28)26-17-32-11-12-33-26/h1-8,11-13,16-17,19,23H,9-10,14-15,18H2,(H,36,37,38)
InChIKeyWOIBNSMAQNNKOE-UHFFFAOYSA-N
MW531.60 g/mol
LogP5.16
Rot. Bonds6

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

6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 68753326) has the molecular formula C30H26FN9 and a molecular weight of 531.60 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
PubChem CID68753326
Molecular FormulaC30H26FN9
Molecular Weight531.60 g/mol
Exact Mass531.23
IUPAC Name6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc(-c5cnccn5)n[nH]4)CC3)cc2)cc1
InChIInChI=1S/C30H26FN9/c31-24-7-5-21(6-8-24)25-19-40-16-13-34-30(40)35-27(25)22-3-1-20(2-4-22)18-39-14-9-23(10-15-39)28-36-29(38-37-28)26-17-32-11-12-33-26/h1-8,11-13,16-17,19,23H,9-10,14-15,18H2,(H,36,37,38)
InChIKeyWOIBNSMAQNNKOE-UHFFFAOYSA-N
XLogP5.16
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 16669618
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-(3-fluorophenyl)-2-methyl-5-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 70865124
2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine
CID 53192293
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
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
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
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
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
3-(2-fluorophenyl)-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 141233448
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
2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyrimidine
CID 25188957

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine (CID 68753326) is 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine is Fc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc(-c5cnccn5)n[nH]4)CC3)cc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is WOIBNSMAQNNKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN9/c31-24-7-5-21(6-8-24)25-19-40-16-13-34-30(40)35-27(25)22-3-1-20(2-4-22)18-39-14-9-23(10-15-39)28-36-29(38-37-28)26-17-32-11-12-33-26/h1-8,11-13,16-17,19,23H,9-10,14-15,18H2,(H,36,37,38).
What are the key properties of 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine?
6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 531.60 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-7-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 68753326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).