7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one

C30H34FN7O3 — CID 170338329

About 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one

7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one (PubChem CID 170338329) has the molecular formula C30H34FN7O3 and a molecular weight of 559.65 g/mol. Its IUPAC name is 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one.

Molecular Properties

• Compound Name: 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one
• PubChem CID: 170338329
• Molecular Formula: C30H34FN7O3
• Molecular Weight: 559.65 g/mol
• Exact Mass: 559.27
• IUPAC Name: 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one
• SMILES: Cn1c(-c2cc3cccc(OCC4CNC(=O)C4)c3n2CC2CC2)nc2cc3c(nc21)CCN(CC(N)CF)C3=O
• InChI: InChI=1S/C30H34FN7O3/c1-36-28-23(11-21-22(34-28)7-8-37(30(21)40)15-20(32)12-31)35-29(36)24-10-19-3-2-4-25(27(19)38(24)14-17-5-6-17)41-16-18-9-26(39)33-13-18/h2-4,10-11,17-18,20H,5-9,12-16,32H2,1H3,(H,33,39)
• InChIKey: NDNWBBNOBVPCKQ-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 120.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.65
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one?

The IUPAC name of 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one (CID 170338329) is 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one.

What is the SMILES notation for 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one?

The canonical SMILES for 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one is Cn1c(-c2cc3cccc(OCC4CNC(=O)C4)c3n2CC2CC2)nc2cc3c(nc21)CCN(CC(N)CF)C3=O.

What is the InChIKey of 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one?

The InChIKey is NDNWBBNOBVPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O3/c1-36-28-23(11-21-22(34-28)7-8-37(30(21)40)15-20(32)12-31)35-29(36)24-10-19-3-2-4-25(27(19)38(24)14-17-5-6-17)41-16-18-9-26(39)33-13-18/h2-4,10-11,17-18,20H,5-9,12-16,32H2,1H3,(H,33,39).

What are the key properties of 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one?

7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one has a molecular weight of 559.65 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one is sourced from PubChem (CID 170338329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).