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

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CID 71594991
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CID 684862
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CID 666394
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CID 16010788
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CID 2048804
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CID 9858715
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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).