5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine

C24H17F2N5 — CID 66804783

IUPAC5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine
SMILESCc1ccccc1-c1cc(-c2ccccc2)nc(Nc2n[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/C24H17F2N5/c1-14-7-5-6-10-17(14)21-13-20(15-8-3-2-4-9-15)27-24(28-21)29-23-18-11-16(25)12-19(26)22(18)30-31-23/h2-13H,1H3,(H2,27,28,29,30,31)
InChIKeySZPFGIDRLVHQKR-UHFFFAOYSA-N
MW413.43 g/mol
LogP6.02
Rot. Bonds4

About 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine

5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine (PubChem CID 66804783) has the molecular formula C24H17F2N5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine
PubChem CID66804783
Molecular FormulaC24H17F2N5
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC Name5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine
SMILESCc1ccccc1-c1cc(-c2ccccc2)nc(Nc2n[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/C24H17F2N5/c1-14-7-5-6-10-17(14)21-13-20(15-8-3-2-4-9-15)27-24(28-21)29-23-18-11-16(25)12-19(26)22(18)30-31-23/h2-13H,1H3,(H2,27,28,29,30,31)
InChIKeySZPFGIDRLVHQKR-UHFFFAOYSA-N
XLogP6.02
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71549763
5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 10410148
5-methyl-N-(2-naphthyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71594991
5-Methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 684862
Smr000047648
CID 666394
N-[2-(4-methylphenyl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010788
4,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 2048804
N2-methyl-N4-(5-methyl-1H-pyrazol-3-yl)-N2-phenylquinazoline-2,4-diamine
CID 9858715
2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 9924438

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine?
The IUPAC name of 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine (CID 66804783) is 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine?
The canonical SMILES for 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine is Cc1ccccc1-c1cc(-c2ccccc2)nc(Nc2n[nH]c3c(F)cc(F)cc23)n1.
What is the InChIKey of 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine?
The InChIKey is SZPFGIDRLVHQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5/c1-14-7-5-6-10-17(14)21-13-20(15-8-3-2-4-9-15)27-24(28-21)29-23-18-11-16(25)12-19(26)22(18)30-31-23/h2-13H,1H3,(H2,27,28,29,30,31).
What are the key properties of 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine?
5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine has a molecular weight of 413.43 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine is sourced from PubChem (CID 66804783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).