fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one

C24H26FN5O2 — CID 167472844

IUPACfluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one
SMILESCF.Cn1ncc2cc(Nc3cccc4ccn(CC(=O)N5CCCC5)c(=O)c34)ccc21
InChIInChI=1S/C23H23N5O2.CH3F/c1-26-20-8-7-18(13-17(20)14-24-26)25-19-6-4-5-16-9-12-28(23(30)22(16)19)15-21(29)27-10-2-3-11-27;1-2/h4-9,12-14,25H,2-3,10-11,15H2,1H3;1H3
InChIKeyLYKMTXTZVGYTNS-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.84
Rot. Bonds4

About fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one

fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one (PubChem CID 167472844) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one.

Molecular Properties

Compound Namefluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one
PubChem CID167472844
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Namefluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one
SMILESCF.Cn1ncc2cc(Nc3cccc4ccn(CC(=O)N5CCCC5)c(=O)c34)ccc21
InChIInChI=1S/C23H23N5O2.CH3F/c1-26-20-8-7-18(13-17(20)14-24-26)25-19-6-4-5-16-9-12-28(23(30)22(16)19)15-21(29)27-10-2-3-11-27;1-2/h4-9,12-14,25H,2-3,10-11,15H2,1H3;1H3
InChIKeyLYKMTXTZVGYTNS-UHFFFAOYSA-N
XLogP3.84
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-[(1-methylindazol-5-yl)amino]isoquinolin-1-one
CID 167472985
8-[(7-fluoro-1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one
CID 167472995
2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid
CID 167472846
2-[2-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-8-[(1-methylindazol-5-yl)amino]isoquinolin-1-one
CID 167472825
2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 167473060
N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide
CID 167472881
ethane;methyl 5-[[2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetyl]amino]pyridine-3-carboxylate
CID 167472944
(E)-2-methoxybut-2-ene;N-(5-methoxy-3-pyridinyl)-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide
CID 167472918
2-[8-[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-(1,2-oxazol-4-yl)acetamide
CID 167472955
ethane;2-[8-[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 167473063
2-[8-[[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]amino]-1-oxoisoquinolin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 167472852
2-[8-[(3-methyl-2H-indazol-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 167472963

Frequently Asked Questions

What is the IUPAC name of fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one?
The IUPAC name of fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one (CID 167472844) is fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one.
What is the SMILES notation for fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one?
The canonical SMILES for fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one is CF.Cn1ncc2cc(Nc3cccc4ccn(CC(=O)N5CCCC5)c(=O)c34)ccc21.
What is the InChIKey of fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one?
The InChIKey is LYKMTXTZVGYTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2.CH3F/c1-26-20-8-7-18(13-17(20)14-24-26)25-19-6-4-5-16-9-12-28(23(30)22(16)19)15-21(29)27-10-2-3-11-27;1-2/h4-9,12-14,25H,2-3,10-11,15H2,1H3;1H3.
What are the key properties of fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one?
fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one has a molecular weight of 435.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one is sourced from PubChem (CID 167472844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).