bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine

C74H77F3N26 — CID 159503636

IUPACbis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCC(C)(C)c1nc(-c2ccncn2)n[nH]1.Cc1c(-c2ncnc3ccccc23)n[nH]c1C(C)(C)C.Cc1c(-c2ncnc3ccccc23)n[nH]c1C(C)(C)C.Cc1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1.Cc1cc(-c2n[nH]c(C)c2C)ncn1
InChIInChI=1S/C22H16F3N9.2C16H18N4.C10H13N5.C10H12N4/c1-13-11-17(31-30-13)15-7-9-26-20(28-15)34(14-5-3-2-4-6-14)21-27-10-8-16(29-21)18-12-19(33-32-18)22(23,24)25;2*1-10-13(19-20-15(10)16(2,3)4)14-11-7-5-6-8-12(11)17-9-18-14;1-10(2,3)9-13-8(14-15-9)7-4-5-11-6-12-7;1-6-4-9(12-5-11-6)10-7(2)8(3)13-14-10/h2-12H,1H3,(H,30,31)(H,32,33);2*5-9H,1-4H3,(H,19,20);4-6H,1-3H3,(H,13,14,15);4-5H,1-3H3,(H,13,14)
InChIKeyLZRYTGHYKCGLOC-UHFFFAOYSA-N
MW1387.61 g/mol
LogP15.45
Rot. Bonds9

About bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine

bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 159503636) has the molecular formula C74H77F3N26 and a molecular weight of 1387.61 g/mol. Its IUPAC name is bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Namebis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID159503636
Molecular FormulaC74H77F3N26
Molecular Weight1387.61 g/mol
Exact Mass1386.68
IUPAC Namebis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCC(C)(C)c1nc(-c2ccncn2)n[nH]1.Cc1c(-c2ncnc3ccccc23)n[nH]c1C(C)(C)C.Cc1c(-c2ncnc3ccccc23)n[nH]c1C(C)(C)C.Cc1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1.Cc1cc(-c2n[nH]c(C)c2C)ncn1
InChIInChI=1S/C22H16F3N9.2C16H18N4.C10H13N5.C10H12N4/c1-13-11-17(31-30-13)15-7-9-26-20(28-15)34(14-5-3-2-4-6-14)21-27-10-8-16(29-21)18-12-19(33-32-18)22(23,24)25;2*1-10-13(19-20-15(10)16(2,3)4)14-11-7-5-6-8-12(11)17-9-18-14;1-10(2,3)9-13-8(14-15-9)7-4-5-11-6-12-7;1-6-4-9(12-5-11-6)10-7(2)8(3)13-14-10/h2-12H,1H3,(H,30,31)(H,32,33);2*5-9H,1-4H3,(H,19,20);4-6H,1-3H3,(H,13,14,15);4-5H,1-3H3,(H,13,14)
InChIKeyLZRYTGHYKCGLOC-UHFFFAOYSA-N
XLogP15.45
TPSA342.89 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001387.61
LogP ≤ 515.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
7-[2,6-difluoro-4-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837401
2-(3,3-difluoropyrrolidin-1-yl)-6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidine
CID 11643074
3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 44572054
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836542
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836648
7-(3,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836750
3-(1H-indazol-4-yl)-7-(3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836856

Frequently Asked Questions

What is the IUPAC name of bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine (CID 159503636) is bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine is CC(C)(C)c1nc(-c2ccncn2)n[nH]1.Cc1c(-c2ncnc3ccccc23)n[nH]c1C(C)(C)C.Cc1c(-c2ncnc3ccccc23)n[nH]c1C(C)(C)C.Cc1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1.Cc1cc(-c2n[nH]c(C)c2C)ncn1.
What is the InChIKey of bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is LZRYTGHYKCGLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N9.2C16H18N4.C10H13N5.C10H12N4/c1-13-11-17(31-30-13)15-7-9-26-20(28-15)34(14-5-3-2-4-6-14)21-27-10-8-16(29-21)18-12-19(33-32-18)22(23,24)25;2*1-10-13(19-20-15(10)16(2,3)4)14-11-7-5-6-8-12(11)17-9-18-14;1-10(2,3)9-13-8(14-15-9)7-4-5-11-6-12-7;1-6-4-9(12-5-11-6)10-7(2)8(3)13-14-10/h2-12H,1H3,(H,30,31)(H,32,33);2*5-9H,1-4H3,(H,19,20);4-6H,1-3H3,(H,13,14,15);4-5H,1-3H3,(H,13,14).
What are the key properties of bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine?
bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 1387.61 g/mol, XLogP of 15.45, 9 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)quinazoline);4-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyrimidine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyrimidine;4-(5-methyl-1H-pyrazol-3-yl)-N-phenyl-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 159503636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).