7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one

C24H18ClFN6O — CID 67533785

IUPAC7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one
SMILESCC1(Cc2cncnc2)C(=O)Nc2c(-c3cnc(N)cn3)cc(-c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C24H18ClFN6O/c1-24(7-13-8-28-12-29-9-13)17-5-15(14-2-3-19(26)18(25)6-14)4-16(22(17)32-23(24)33)20-10-31-21(27)11-30-20/h2-6,8-12H,7H2,1H3,(H2,27,31)(H,32,33)
InChIKeyZVCXFQZRCLTDFF-UHFFFAOYSA-N
MW460.90 g/mol
LogP4.43
Rot. Bonds4

About 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one

7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one (PubChem CID 67533785) has the molecular formula C24H18ClFN6O and a molecular weight of 460.90 g/mol. Its IUPAC name is 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one.

Molecular Properties

Compound Name7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one
PubChem CID67533785
Molecular FormulaC24H18ClFN6O
Molecular Weight460.90 g/mol
Exact Mass460.12
IUPAC Name7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one
SMILESCC1(Cc2cncnc2)C(=O)Nc2c(-c3cnc(N)cn3)cc(-c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C24H18ClFN6O/c1-24(7-13-8-28-12-29-9-13)17-5-15(14-2-3-19(26)18(25)6-14)4-16(22(17)32-23(24)33)20-10-31-21(27)11-30-20/h2-6,8-12H,7H2,1H3,(H2,27,31)(H,32,33)
InChIKeyZVCXFQZRCLTDFF-UHFFFAOYSA-N
XLogP4.43
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one?
The IUPAC name of 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one (CID 67533785) is 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one.
What is the SMILES notation for 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one?
The canonical SMILES for 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one is CC1(Cc2cncnc2)C(=O)Nc2c(-c3cnc(N)cn3)cc(-c3ccc(F)c(Cl)c3)cc21.
What is the InChIKey of 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one?
The InChIKey is ZVCXFQZRCLTDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6O/c1-24(7-13-8-28-12-29-9-13)17-5-15(14-2-3-19(26)18(25)6-14)4-16(22(17)32-23(24)33)20-10-31-21(27)11-30-20/h2-6,8-12H,7H2,1H3,(H2,27,31)(H,32,33).
What are the key properties of 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one?
7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one has a molecular weight of 460.90 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one is sourced from PubChem (CID 67533785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).