5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C30H38BrN5O2 — CID 166141618

About 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 166141618) has the molecular formula C30H38BrN5O2 and a molecular weight of 580.57 g/mol. Its IUPAC name is 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 166141618
• Molecular Formula: C30H38BrN5O2
• Molecular Weight: 580.57 g/mol
• Exact Mass: 579.22
• IUPAC Name: 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: CC1CCCN(c2nc(OCC3(CN(C)C)CC3)nc3c2CCN(c2cc(O)cc4cccc(Br)c24)C3)C1
• InChI: InChI=1S/C30H38BrN5O2/c1-20-6-5-12-36(16-20)28-23-9-13-35(26-15-22(37)14-21-7-4-8-24(31)27(21)26)17-25(23)32-29(33-28)38-19-30(10-11-30)18-34(2)3/h4,7-8,14-15,20,37H,5-6,9-13,16-19H2,1-3H3
• InChIKey: VNLZEXUMPWQHHX-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 64.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.57
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 166141618) is 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is CC1CCCN(c2nc(OCC3(CN(C)C)CC3)nc3c2CCN(c2cc(O)cc4cccc(Br)c24)C3)C1.

What is the InChIKey of 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is VNLZEXUMPWQHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38BrN5O2/c1-20-6-5-12-36(16-20)28-23-9-13-35(26-15-22(37)14-21-7-4-8-24(31)27(21)26)17-25(23)32-29(33-28)38-19-30(10-11-30)18-34(2)3/h4,7-8,14-15,20,37H,5-6,9-13,16-19H2,1-3H3.

What are the key properties of 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 580.57 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 166141618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).