N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine

C24H15F5N6 — CID 6539435

IUPACN-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1
InChIInChI=1S/C24H15F5N6/c1-13-5-8-20-21(19-9-10-30-23(32-19)31-16-6-7-17(25)18(26)12-16)22(34-35(20)33-13)14-3-2-4-15(11-14)24(27,28)29/h2-12H,1H3,(H,30,31,32)
InChIKeyXRNHEFWKALUYJP-UHFFFAOYSA-N
MW482.42 g/mol
LogP6.20
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine

N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 6539435) has the molecular formula C24H15F5N6 and a molecular weight of 482.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID6539435
Molecular FormulaC24H15F5N6
Molecular Weight482.42 g/mol
Exact Mass482.13
IUPAC NameN-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1
InChIInChI=1S/C24H15F5N6/c1-13-5-8-20-21(19-9-10-30-23(32-19)31-16-6-7-17(25)18(26)12-16)22(34-35(20)33-13)14-3-2-4-15(11-14)24(27,28)29/h2-12H,1H3,(H,30,31,32)
InChIKeyXRNHEFWKALUYJP-UHFFFAOYSA-N
XLogP6.20
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine
CID 69061776
N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
CID 10413636
4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539406
4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539411
4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine
CID 59513856
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
4-[5-[(Z)-3-iminoprop-1-enyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 142885709
3-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]phenol
CID 170970775
N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 10091163
4-(7-fluoro-3H-benzimidazol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970666
2,6-difluoro-N-[3-[3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]phenyl]benzamide
CID 44529068
4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 175832958

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (CID 6539435) is N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is XRNHEFWKALUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F5N6/c1-13-5-8-20-21(19-9-10-30-23(32-19)31-16-6-7-17(25)18(26)12-16)22(34-35(20)33-13)14-3-2-4-15(11-14)24(27,28)29/h2-12H,1H3,(H,30,31,32).
What are the key properties of N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 482.42 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 6539435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).