1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine

C71H75Br3N24O5 — CID 158489245

About 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine

1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 158489245) has the molecular formula C71H75Br3N24O5 and a molecular weight of 1584.26 g/mol. Its IUPAC name is 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
• PubChem CID: 158489245
• Molecular Formula: C71H75Br3N24O5
• Molecular Weight: 1584.26 g/mol
• Exact Mass: 1580.39
• IUPAC Name: 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
• SMILES: Brc1ccnn1C1CCCCO1.COCCBr.COCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.COCCn1ncc2c(N)nc3cc(-c4ccn[nH]4)ccc3c21.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12.Nc1nc2cc(Br)ccc2c2[nH]ncc12
• InChI: InChI=1S/C18H18N6O.2C16H16N6O.C10H7BrN4.C8H11BrN2O.C3H7BrO/c19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-23-7-6-22-9-12-15(21-22)11-3-2-10(13-4-5-18-20-13)8-14(11)19-16(12)17;1-23-7-6-22-15-11-3-2-10(13-4-5-18-21-13)8-14(11)20-16(17)12(15)9-19-22;11-5-1-2-6-8(3-5)14-10(12)7-4-13-15-9(6)7;9-7-4-5-10-11(7)8-3-1-2-6-12-8;1-5-3-2-4/h4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);2-5,8-9H,6-7H2,1H3,(H2,17,19)(H,18,20);2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,21);1-4H,(H2,12,14)(H,13,15);4-5,8H,1-3,6H2;2-3H2,1H3
• InChIKey: HIMJNSGMXBBZOH-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 387.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1584.26
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?

The IUPAC name of 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine (CID 158489245) is 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine.

What is the SMILES notation for 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?

The canonical SMILES for 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine is Brc1ccnn1C1CCCCO1.COCCBr.COCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.COCCn1ncc2c(N)nc3cc(-c4ccn[nH]4)ccc3c21.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12.Nc1nc2cc(Br)ccc2c2[nH]ncc12.

What is the InChIKey of 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?

The InChIKey is HIMJNSGMXBBZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O.2C16H16N6O.C10H7BrN4.C8H11BrN2O.C3H7BrO/c19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-23-7-6-22-9-12-15(21-22)11-3-2-10(13-4-5-18-20-13)8-14(11)19-16(12)17;1-23-7-6-22-15-11-3-2-10(13-4-5-18-21-13)8-14(11)20-16(17)12(15)9-19-22;11-5-1-2-6-8(3-5)14-10(12)7-4-13-15-9(6)7;9-7-4-5-10-11(7)8-3-1-2-6-12-8;1-5-3-2-4/h4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);2-5,8-9H,6-7H2,1H3,(H2,17,19)(H,18,20);2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,21);1-4H,(H2,12,14)(H,13,15);4-5,8H,1-3,6H2;2-3H2,1H3.

What are the key properties of 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?

1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 1584.26 g/mol, XLogP of 13.49, 13 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 158489245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).