(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone

C108H105Br2F2N33O13 — CID 158268597

IUPAC(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(-c3cnc(NC4CC4)nc3)cc12.CCOc1nccc(CC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1.CCn1cnc(CC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1.CNc1ncc(-c2ccc3c(c2)c(C(C)=O)nn3CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)cn1
InChIInChI=1S/C28H26BrN9O3.C28H28FN7O4.C26H24BrN9O3.C26H27FN8O3/c1-14(39)26-19-6-15(17-9-31-28(32-10-17)33-18-3-4-18)2-5-20(19)37(36-26)13-25(40)38-21-7-16(21)8-22(38)27(41)35-24-12-30-11-23(29)34-24;1-4-40-28-30-8-7-21(33-28)11-25(38)24-10-20(29)14-35(24)26(39)15-36-23-6-5-18(19-12-31-17(3)32-13-19)9-22(23)27(34-36)16(2)37;1-13(37)24-17-5-14(16-8-30-26(28-2)31-9-16)3-4-18(17)35(34-24)12-23(38)36-19-6-15(19)7-20(36)25(39)33-22-11-29-10-21(27)32-22;1-4-33-14-30-24(31-33)9-23(37)22-8-19(27)12-34(22)25(38)13-35-21-6-5-17(18-10-28-16(3)29-11-18)7-20(21)26(32-35)15(2)36/h2,5-6,9-12,16,18,21-22H,3-4,7-8,13H2,1H3,(H,31,32,33)(H,34,35,41);5-9,12-13,20,24H,4,10-11,14-15H2,1-3H3;3-5,8-11,15,19-20H,6-7,12H2,1-2H3,(H,28,30,31)(H,32,33,39);5-7,10-11,14,19,22H,4,8-9,12-13H2,1-3H3/t16-,21-,22+;20-,24+;15-,19-,20+;19-,22+/m1111/s1
InChIKeyGITHOOWORFTWAM-BMAMZVDHSA-N
MW2271.05 g/mol
LogP11.68
Rot. Bonds32

About (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone

(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 158268597) has the molecular formula C108H105Br2F2N33O13 and a molecular weight of 2271.05 g/mol. Its IUPAC name is (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone
PubChem CID158268597
Molecular FormulaC108H105Br2F2N33O13
Molecular Weight2271.05 g/mol
Exact Mass2267.69
IUPAC Name(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(-c3cnc(NC4CC4)nc3)cc12.CCOc1nccc(CC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1.CCn1cnc(CC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1.CNc1ncc(-c2ccc3c(c2)c(C(C)=O)nn3CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)cn1
InChIInChI=1S/C28H26BrN9O3.C28H28FN7O4.C26H24BrN9O3.C26H27FN8O3/c1-14(39)26-19-6-15(17-9-31-28(32-10-17)33-18-3-4-18)2-5-20(19)37(36-26)13-25(40)38-21-7-16(21)8-22(38)27(41)35-24-12-30-11-23(29)34-24;1-4-40-28-30-8-7-21(33-28)11-25(38)24-10-20(29)14-35(24)26(39)15-36-23-6-5-18(19-12-31-17(3)32-13-19)9-22(23)27(34-36)16(2)37;1-13(37)24-17-5-14(16-8-30-26(28-2)31-9-16)3-4-18(17)35(34-24)12-23(38)36-19-6-15(19)7-20(36)25(39)33-22-11-29-10-21(27)32-22;1-4-33-14-30-24(31-33)9-23(37)22-8-19(27)12-34(22)25(38)13-35-21-6-5-17(18-10-28-16(3)29-11-18)7-20(21)26(32-35)15(2)36/h2,5-6,9-12,16,18,21-22H,3-4,7-8,13H2,1H3,(H,31,32,33)(H,34,35,41);5-9,12-13,20,24H,4,10-11,14-15H2,1-3H3;3-5,8-11,15,19-20H,6-7,12H2,1-2H3,(H,28,30,31)(H,32,33,39);5-7,10-11,14,19,22H,4,8-9,12-13H2,1-3H3/t16-,21-,22+;20-,24+;15-,19-,20+;19-,22+/m1111/s1
InChIKeyGITHOOWORFTWAM-BMAMZVDHSA-N
XLogP11.68
TPSA557.60 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds32
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002271.05
LogP ≤ 511.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-[2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanone
CID 152954455
(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methoxypyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126643070
(2S,4R)-1-[2-[3-acetyl-5-[2-(hydroxymethyl)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126643014
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methoxy-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 126642995
CID 159013732
CID 159013732
(1R,3S,5R)-2-[2-[3-acetyl-5-(2-cyclopropylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126642910
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126642982
1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone
CID 149101742
(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-5-methyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169052541
(2S,4R)-1-[2-[3-acetyl-5-(2-methoxypyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(1S,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1S,3S,5S)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(5-bromo-1-methylpyrazol-3-yl)ethanone
CID 157479731
CID 161474822
CID 161474822
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 126622999

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone (CID 158268597) is (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone is CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(-c3cnc(NC4CC4)nc3)cc12.CCOc1nccc(CC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1.CCn1cnc(CC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(C)=O)c3cc(-c4cnc(C)nc4)ccc32)n1.CNc1ncc(-c2ccc3c(c2)c(C(C)=O)nn3CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)cn1.
What is the InChIKey of (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is GITHOOWORFTWAM-BMAMZVDHSA-N. The full InChI is InChI=1S/C28H26BrN9O3.C28H28FN7O4.C26H24BrN9O3.C26H27FN8O3/c1-14(39)26-19-6-15(17-9-31-28(32-10-17)33-18-3-4-18)2-5-20(19)37(36-26)13-25(40)38-21-7-16(21)8-22(38)27(41)35-24-12-30-11-23(29)34-24;1-4-40-28-30-8-7-21(33-28)11-25(38)24-10-20(29)14-35(24)26(39)15-36-23-6-5-18(19-12-31-17(3)32-13-19)9-22(23)27(34-36)16(2)37;1-13(37)24-17-5-14(16-8-30-26(28-2)31-9-16)3-4-18(17)35(34-24)12-23(38)36-19-6-15(19)7-20(36)25(39)33-22-11-29-10-21(27)32-22;1-4-33-14-30-24(31-33)9-23(37)22-8-19(27)12-34(22)25(38)13-35-21-6-5-17(18-10-28-16(3)29-11-18)7-20(21)26(32-35)15(2)36/h2,5-6,9-12,16,18,21-22H,3-4,7-8,13H2,1H3,(H,31,32,33)(H,34,35,41);5-9,12-13,20,24H,4,10-11,14-15H2,1-3H3;3-5,8-11,15,19-20H,6-7,12H2,1-2H3,(H,28,30,31)(H,32,33,39);5-7,10-11,14,19,22H,4,8-9,12-13H2,1-3H3/t16-,21-,22+;20-,24+;15-,19-,20+;19-,22+/m1111/s1.
What are the key properties of (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone?
(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 2271.05 g/mol, XLogP of 11.68, 32 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-2-[2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-[2-(methylamino)pyrimidin-5-yl]indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(2-ethoxypyrimidin-4-yl)ethanone;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(1-ethyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 158268597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).