2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile

C27H24FN7O2 — CID 170344086

IUPAC2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile
SMILESCn1c(-c2cc3cccc(C#N)c3n2Cc2ccno2)nc2cc3c(cc21)CCN(C[C@H](N)CF)C3=O
InChIInChI=1S/C27H24FN7O2/c1-33-23-9-16-6-8-34(14-19(30)12-28)27(36)21(16)11-22(23)32-26(33)24-10-17-3-2-4-18(13-29)25(17)35(24)15-20-5-7-31-37-20/h2-5,7,9-11,19H,6,8,12,14-15,30H2,1H3/t19-/m1/s1
InChIKeyWGSKZOUOTNFXEM-LJQANCHMSA-N
MW497.53 g/mol
LogP3.40
Rot. Bonds6

About 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile

2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile (PubChem CID 170344086) has the molecular formula C27H24FN7O2 and a molecular weight of 497.53 g/mol. Its IUPAC name is 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile.

Molecular Properties

Compound Name2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile
PubChem CID170344086
Molecular FormulaC27H24FN7O2
Molecular Weight497.53 g/mol
Exact Mass497.20
IUPAC Name2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile
SMILESCn1c(-c2cc3cccc(C#N)c3n2Cc2ccno2)nc2cc3c(cc21)CCN(C[C@H](N)CF)C3=O
InChIInChI=1S/C27H24FN7O2/c1-33-23-9-16-6-8-34(14-19(30)12-28)27(36)21(16)11-22(23)32-26(33)24-10-17-3-2-4-18(13-29)25(17)35(24)15-20-5-7-31-37-20/h2-5,7,9-11,19H,6,8,12,14-15,30H2,1H3/t19-/m1/s1
InChIKeyWGSKZOUOTNFXEM-LJQANCHMSA-N
XLogP3.40
TPSA118.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile with MolForge

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Related Compounds

2-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 11111248
US20250346592, Example 93
CID 170344062
US20250346592, Example 227
CID 170344103
US20250346592, Example 228
CID 170344290
US20250346592, Example 111
CID 170603896
US20250346592, Example 137
CID 170604249
US20250346592, Example 100
CID 177774057
US20250346592, Example 97
CID 177774135
US20250346592, Example 98
CID 177774186
US20250346592, Example 139
CID 177774219
US20250346592, Example 112
CID 177774304
US20250346592, Example 121
CID 177774368

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile?
The IUPAC name of 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile (CID 170344086) is 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile.
What is the SMILES notation for 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile?
The canonical SMILES for 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile is Cn1c(-c2cc3cccc(C#N)c3n2Cc2ccno2)nc2cc3c(cc21)CCN(C[C@H](N)CF)C3=O.
What is the InChIKey of 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile?
The InChIKey is WGSKZOUOTNFXEM-LJQANCHMSA-N. The full InChI is InChI=1S/C27H24FN7O2/c1-33-23-9-16-6-8-34(14-19(30)12-28)27(36)21(16)11-22(23)32-26(33)24-10-17-3-2-4-18(13-29)25(17)35(24)15-20-5-7-31-37-20/h2-5,7,9-11,19H,6,8,12,14-15,30H2,1H3/t19-/m1/s1.
What are the key properties of 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile?
2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile has a molecular weight of 497.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(1,2-oxazol-5-ylmethyl)indole-7-carbonitrile is sourced from PubChem (CID 170344086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).