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

C30H26F2N10 — CID 68751783

IUPAC6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccc(CN4CCC(c5nc(-c6cnccn6)n[nH]5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1
InChIInChI=1S/C30H26F2N10/c1-18-35-30-36-27(24(17-42(30)40-18)23-7-6-22(31)14-25(23)32)20-4-2-19(3-5-20)16-41-12-8-21(9-13-41)28-37-29(39-38-28)26-15-33-10-11-34-26/h2-7,10-11,14-15,17,21H,8-9,12-13,16H2,1H3,(H,37,38,39)
InChIKeyZHLCALWRSVQDRX-UHFFFAOYSA-N
MW564.60 g/mol
LogP5.00
Rot. Bonds6

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

6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 68751783) has the molecular formula C30H26F2N10 and a molecular weight of 564.60 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID68751783
Molecular FormulaC30H26F2N10
Molecular Weight564.60 g/mol
Exact Mass564.23
IUPAC Name6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccc(CN4CCC(c5nc(-c6cnccn6)n[nH]5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1
InChIInChI=1S/C30H26F2N10/c1-18-35-30-36-27(24(17-42(30)40-18)23-7-6-22(31)14-25(23)32)20-4-2-19(3-5-20)16-41-12-8-21(9-13-41)28-37-29(39-38-28)26-15-33-10-11-34-26/h2-7,10-11,14-15,17,21H,8-9,12-13,16H2,1H3,(H,37,38,39)
InChIKeyZHLCALWRSVQDRX-UHFFFAOYSA-N
XLogP5.00
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 68751783) is 6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(-c3ccc(CN4CCC(c5nc(-c6cnccn6)n[nH]5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZHLCALWRSVQDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N10/c1-18-35-30-36-27(24(17-42(30)40-18)23-7-6-22(31)14-25(23)32)20-4-2-19(3-5-20)16-41-12-8-21(9-13-41)28-37-29(39-38-28)26-15-33-10-11-34-26/h2-7,10-11,14-15,17,21H,8-9,12-13,16H2,1H3,(H,37,38,39).
What are the key properties of 6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 564.60 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-methyl-5-[4-[[4-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 68751783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).