dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate — IUPAC name, SMILES, InChIKey & properties

Name: dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate

dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate (PubChem CID 162097653) has the molecular formula C56H64BBrF2K2N12O7 and a molecular weight of 1224.11 g/mol. Its IUPAC name is dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate.

Molecular Properties

Compound Name	dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate
PubChem CID	162097653
Molecular Formula	C56H64BBrF2K2N12O7
Molecular Weight	1224.11 g/mol
Exact Mass	1222.35
IUPAC Name	dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate
SMILES	C.Cn1cc(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(CCF)C(=O)C5)c3cn2)cn1.Cn1cc(-c2cc3cccc(B4OC(C)(C)C(C)(C)O4)c3cn2)cn1.O=C1Cn2c(C3CC3)nc(Br)c2CN1CCF.O=CO[O-].[H-].[K+].[K+]
InChI	InChI=1S/C24H23FN6O.C19H22BN3O2.C11H13BrFN3O.CH2O3.CH4.2K.H/c1-29-12-17(10-27-29)20-9-16-3-2-4-18(19(16)11-26-20)23-21-13-30(8-7-25)22(32)14-31(21)24(28-23)15-5-6-15;1-18(2)19(3,4)25-20(24-18)16-8-6-7-13-9-17(21-11-15(13)16)14-10-22-23(5)12-14;12-10-8-5-15(4-3-13)9(17)6-16(8)11(14-10)7-1-2-7;2-1-4-3;;;;/h2-4,9-12,15H,5-8,13-14H2,1H3;6-12H,1-5H3;7H,1-6H2;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
InChIKey	CGYILRYFEDATPE-UHFFFAOYSA-M
XLogP	1.65
TPSA	205.50 Å²
H-Bond Donors
H-Bond Acceptors	17
Rotatable Bonds	11
Heavy Atoms	81
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1224.11
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate?

The IUPAC name of dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate (CID 162097653) is dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate.

What is the SMILES notation for dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate?

The canonical SMILES for dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate is C.Cn1cc(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(CCF)C(=O)C5)c3cn2)cn1.Cn1cc(-c2cc3cccc(B4OC(C)(C)C(C)(C)O4)c3cn2)cn1.O=C1Cn2c(C3CC3)nc(Br)c2CN1CCF.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate?

The InChIKey is CGYILRYFEDATPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H23FN6O.C19H22BN3O2.C11H13BrFN3O.CH2O3.CH4.2K.H/c1-29-12-17(10-27-29)20-9-16-3-2-4-18(19(16)11-26-20)23-21-13-30(8-7-25)22(32)14-31(21)24(28-23)15-5-6-15;1-18(2)19(3,4)25-20(24-18)16-8-6-7-13-9-17(21-11-15(13)16)14-10-22-23(5)12-14;12-10-8-5-15(4-3-13)9(17)6-16(8)11(14-10)7-1-2-7;2-1-4-3;;;;/h2-4,9-12,15H,5-8,13-14H2,1H3;6-12H,1-5H3;7H,1-6H2;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate?

Where does this data come from?

All data for dipotassium;1-bromo-3-cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;3-(1-methylpyrazol-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate is sourced from PubChem (CID 162097653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).