9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C24H26F2N8O — CID 56602910

IUPAC9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCN(C)CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(OC(F)F)cc2)CC3)cn1
InChIInChI=1S/C24H26F2N8O/c1-32(2)10-11-34-14-17(13-28-34)29-24-27-12-16-6-9-19-20(21(16)30-24)22(33(3)31-19)15-4-7-18(8-5-15)35-23(25)26/h4-5,7-8,12-14,23H,6,9-11H2,1-3H3,(H,27,29,30)
InChIKeyLXBKQBAEPHHFAV-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.75
Rot. Bonds8

About 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 56602910) has the molecular formula C24H26F2N8O and a molecular weight of 480.52 g/mol. Its IUPAC name is 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID56602910
Molecular FormulaC24H26F2N8O
Molecular Weight480.52 g/mol
Exact Mass480.22
IUPAC Name9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCN(C)CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(OC(F)F)cc2)CC3)cn1
InChIInChI=1S/C24H26F2N8O/c1-32(2)10-11-34-14-17(13-28-34)29-24-27-12-16-6-9-19-20(21(16)30-24)22(33(3)31-19)15-4-7-18(8-5-15)35-23(25)26/h4-5,7-8,12-14,23H,6,9-11H2,1-3H3,(H,27,29,30)
InChIKeyLXBKQBAEPHHFAV-UHFFFAOYSA-N
XLogP3.75
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 56602910) is 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CN(C)CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(OC(F)F)cc2)CC3)cn1.
What is the InChIKey of 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is LXBKQBAEPHHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O/c1-32(2)10-11-34-14-17(13-28-34)29-24-27-12-16-6-9-19-20(21(16)30-24)22(33(3)31-19)15-4-7-18(8-5-15)35-23(25)26/h4-5,7-8,12-14,23H,6,9-11H2,1-3H3,(H,27,29,30).
What are the key properties of 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 480.52 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(difluoromethoxy)phenyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 56602910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).