N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide

C28H28N6O2 — CID 167472881

IUPACN-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide
SMILESCn1ncc2cc(Nc3cccc4ccn(CC(=O)Nc5cccc(C(C)(C)N)c5)c(=O)c34)ccc21
InChIInChI=1S/C28H28N6O2/c1-28(2,29)20-7-5-8-21(15-20)32-25(35)17-34-13-12-18-6-4-9-23(26(18)27(34)36)31-22-10-11-24-19(14-22)16-30-33(24)3/h4-16,31H,17,29H2,1-3H3,(H,32,35)
InChIKeyFZUHVTRJLJPXBV-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.46
Rot. Bonds6

About N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide

N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide (PubChem CID 167472881) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide
PubChem CID167472881
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC NameN-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide
SMILESCn1ncc2cc(Nc3cccc4ccn(CC(=O)Nc5cccc(C(C)(C)N)c5)c(=O)c34)ccc21
InChIInChI=1S/C28H28N6O2/c1-28(2,29)20-7-5-8-21(15-20)32-25(35)17-34-13-12-18-6-4-9-23(26(18)27(34)36)31-22-10-11-24-19(14-22)16-30-33(24)3/h4-16,31H,17,29H2,1-3H3,(H,32,35)
InChIKeyFZUHVTRJLJPXBV-UHFFFAOYSA-N
XLogP4.46
TPSA106.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide with MolForge

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Related Compounds

2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 167473060
2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetic acid
CID 167472846
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
fluoromethane;8-[(1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one
CID 167472844
2-[2-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-8-[(1-methylindazol-5-yl)amino]isoquinolin-1-one
CID 167472825
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-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-[(1-methylindazol-5-yl)amino]isoquinolin-1-one
CID 167472985
2-[8-[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-(1,2-oxazol-4-yl)acetamide
CID 167472955
8-[(7-fluoro-1-methylindazol-5-yl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoquinolin-1-one
CID 167472995
2-[8-[(3-methyl-2H-indazol-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 167472963
N-(4-tert-butylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 2095659

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide?
The IUPAC name of N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide (CID 167472881) is N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide.
What is the SMILES notation for N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide?
The canonical SMILES for N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide is Cn1ncc2cc(Nc3cccc4ccn(CC(=O)Nc5cccc(C(C)(C)N)c5)c(=O)c34)ccc21.
What is the InChIKey of N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide?
The InChIKey is FZUHVTRJLJPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-28(2,29)20-7-5-8-21(15-20)32-25(35)17-34-13-12-18-6-4-9-23(26(18)27(34)36)31-22-10-11-24-19(14-22)16-30-33(24)3/h4-16,31H,17,29H2,1-3H3,(H,32,35).
What are the key properties of N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide?
N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide has a molecular weight of 480.57 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminopropan-2-yl)phenyl]-2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]acetamide is sourced from PubChem (CID 167472881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).