[1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid

C32H35FN6O5 — CID 170344128

About [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid

[1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid (PubChem CID 170344128) has the molecular formula C32H35FN6O5 and a molecular weight of 602.67 g/mol. Its IUPAC name is [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid
• PubChem CID: 170344128
• Molecular Formula: C32H35FN6O5
• Molecular Weight: 602.67 g/mol
• Exact Mass: 602.27
• IUPAC Name: [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid
• SMILES: Cn1c(-c2cc3cccc(OCC4CCNC4=O)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(CF)NC(=O)O)C3=O
• InChI: InChI=1S/C32H35FN6O5/c1-37-25-11-19-8-10-38(16-22(14-33)35-32(42)43)31(41)23(19)13-24(25)36-29(37)26-12-20-3-2-4-27(28(20)39(26)15-18-5-6-18)44-17-21-7-9-34-30(21)40/h2-4,11-13,18,21-22,35H,5-10,14-17H2,1H3,(H,34,40)(H,42,43)
• InChIKey: WNTDDOSDPLLKMZ-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 130.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.67
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid?

The IUPAC name of [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid (CID 170344128) is [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid.

What is the SMILES notation for [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid?

The canonical SMILES for [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid is Cn1c(-c2cc3cccc(OCC4CCNC4=O)c3n2CC2CC2)nc2cc3c(cc21)CCN(CC(CF)NC(=O)O)C3=O.

What is the InChIKey of [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid?

The InChIKey is WNTDDOSDPLLKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O5/c1-37-25-11-19-8-10-38(16-22(14-33)35-32(42)43)31(41)23(19)13-24(25)36-29(37)26-12-20-3-2-4-27(28(20)39(26)15-18-5-6-18)44-17-21-7-9-34-30(21)40/h2-4,11-13,18,21-22,35H,5-10,14-17H2,1H3,(H,34,40)(H,42,43).

What are the key properties of [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid?

[1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid has a molecular weight of 602.67 g/mol, XLogP of 3.72, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid is sourced from PubChem (CID 170344128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).