1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine

C59H60F6N10 — CID 90992006

IUPAC1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine
SMILESCC(C)(C)c1ccc(N(c2nc(CN3CCCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)N(c2ccc(C(C)(C)C)cc2)c2nc(CN3CCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1
InChIInChI=1S/C59H60F6N10/c1-56(2,3)40-18-22-42(23-19-40)74(54-44-26-16-38(52-46(58(60,61)62)14-12-28-66-52)34-48(44)68-50(70-54)36-72-30-8-7-9-31-72)75(43-24-20-41(21-25-43)57(4,5)6)55-45-27-17-39(53-47(59(63,64)65)15-13-29-67-53)35-49(45)69-51(71-55)37-73-32-10-11-33-73/h12-29,34-35H,7-11,30-33,36-37H2,1-6H3
InChIKeyGFCDBBWDIUNLIF-UHFFFAOYSA-N
MW1023.19 g/mol
LogP14.80
Rot. Bonds11

About 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine

1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine (PubChem CID 90992006) has the molecular formula C59H60F6N10 and a molecular weight of 1023.19 g/mol. Its IUPAC name is 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine
PubChem CID90992006
Molecular FormulaC59H60F6N10
Molecular Weight1023.19 g/mol
Exact Mass1022.49
IUPAC Name1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine
SMILESCC(C)(C)c1ccc(N(c2nc(CN3CCCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)N(c2ccc(C(C)(C)C)cc2)c2nc(CN3CCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1
InChIInChI=1S/C59H60F6N10/c1-56(2,3)40-18-22-42(23-19-40)74(54-44-26-16-38(52-46(58(60,61)62)14-12-28-66-52)34-48(44)68-50(70-54)36-72-30-8-7-9-31-72)75(43-24-20-41(21-25-43)57(4,5)6)55-45-27-17-39(53-47(59(63,64)65)15-13-29-67-53)35-49(45)69-51(71-55)37-73-32-10-11-33-73/h12-29,34-35H,7-11,30-33,36-37H2,1-6H3
InChIKeyGFCDBBWDIUNLIF-UHFFFAOYSA-N
XLogP14.80
TPSA90.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.19
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine with MolForge

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Related Compounds

4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
2-((4-cyclopentylpiperazin-1-yl)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10312273
2-(2-(pyrrolidin-1-yl)ethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030080
2-((diethylamino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030158
2-((cyclohexylamino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030183
2-(3-(pyrrolidin-1-yl)propyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030227
2-(pyrrolidin-1-ylmethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030273
2-((methylamino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030332
2-(2-(4-methylpiperazin-1-yl)ethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030491
2-((4-methylpiperazin-1-yl)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 23537063
4-(1-(7-Fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-6-methyl-2-pyrimidinamine
CID 50938829
4-(1-(7-Fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-3,3-dimethyl-2,3-dihydro-1h-indol-6-yl)-2-pyrimidinamine
CID 50939081

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine?
The IUPAC name of 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine (CID 90992006) is 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine.
What is the SMILES notation for 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine?
The canonical SMILES for 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine is CC(C)(C)c1ccc(N(c2nc(CN3CCCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)N(c2ccc(C(C)(C)C)cc2)c2nc(CN3CCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1.
What is the InChIKey of 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine?
The InChIKey is GFCDBBWDIUNLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H60F6N10/c1-56(2,3)40-18-22-42(23-19-40)74(54-44-26-16-38(52-46(58(60,61)62)14-12-28-66-52)34-48(44)68-50(70-54)36-72-30-8-7-9-31-72)75(43-24-20-41(21-25-43)57(4,5)6)55-45-27-17-39(53-47(59(63,64)65)15-13-29-67-53)35-49(45)69-51(71-55)37-73-32-10-11-33-73/h12-29,34-35H,7-11,30-33,36-37H2,1-6H3.
What are the key properties of 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine?
1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine has a molecular weight of 1023.19 g/mol, XLogP of 14.80, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-tert-butylphenyl)-1-[2-(piperidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]-2-[2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]hydrazine is sourced from PubChem (CID 90992006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).