N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine

C23H24F3N5O — CID 75786779

IUPACN-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc(C2NNC3CCC(Nc4nc(C(F)(F)F)nc5ccccc45)CC32)cc1
InChIInChI=1S/C23H24F3N5O/c1-32-15-9-6-13(7-10-15)20-17-12-14(8-11-19(17)30-31-20)27-21-16-4-2-3-5-18(16)28-22(29-21)23(24,25)26/h2-7,9-10,14,17,19-20,30-31H,8,11-12H2,1H3,(H,27,28,29)
InChIKeyJWHWCJJWBVIMPP-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.46
Rot. Bonds4

About N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine

N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 75786779) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID75786779
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC NameN-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc(C2NNC3CCC(Nc4nc(C(F)(F)F)nc5ccccc45)CC32)cc1
InChIInChI=1S/C23H24F3N5O/c1-32-15-9-6-13(7-10-15)20-17-12-14(8-11-19(17)30-31-20)27-21-16-4-2-3-5-18(16)28-22(29-21)23(24,25)26/h2-7,9-10,14,17,19-20,30-31H,8,11-12H2,1H3,(H,27,28,29)
InChIKeyJWHWCJJWBVIMPP-UHFFFAOYSA-N
XLogP4.46
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine with MolForge

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Related Compounds

3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine
CID 138042973
4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267198
3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 53407712
4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide
CID 138042938
N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(trifluoromethyl)quinazolin-4-amine
CID 95609013
1-(4-methoxyphenyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea
CID 59081814
5-[(2-pyridin-4-ylquinazolin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406969
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267105
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 8982089
5-methoxy-2-[(E)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]phenol
CID 135846545

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine (CID 75786779) is N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine is COc1ccc(C2NNC3CCC(Nc4nc(C(F)(F)F)nc5ccccc45)CC32)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is JWHWCJJWBVIMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-32-15-9-6-13(7-10-15)20-17-12-14(8-11-19(17)30-31-20)27-21-16-4-2-3-5-18(16)28-22(29-21)23(24,25)26/h2-7,9-10,14,17,19-20,30-31H,8,11-12H2,1H3,(H,27,28,29).
What are the key properties of N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine?
N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 443.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 75786779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).