1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

C160H170N34O7 — CID 158742835

IUPAC1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn1)C2.CN1CCCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.C[C@@H]1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C[C@H](C)O1.Cc1c(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)ccnc1N1CCN(C)CC1.Cc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc(N2CCN(C)CC2)n1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC6(CCCCC6)C5)c4)cc3c2)cn1
InChIInChI=1S/C28H30N6O.C28H29N5O.3C26H28N6O.C26H27N5O2/c1-32-9-6-28(7-10-32)18-34(19-28)27-13-21(5-8-29-27)26(35)14-25-12-23-11-20(3-4-22(23)15-30-25)24-16-31-33(2)17-24;1-32-17-24(16-31-32)20-5-6-22-15-30-25(12-23(22)11-20)14-26(34)21-7-10-29-27(13-21)33-18-28(19-33)8-3-2-4-9-28;1-18-10-22(13-26(29-18)32-8-6-30(2)7-9-32)25(33)14-24-12-21-11-19(4-5-20(21)15-27-24)23-16-28-31(3)17-23;1-18-24(6-7-27-26(18)32-10-8-30(2)9-11-32)25(33)14-23-13-21-12-19(4-5-20(21)15-28-23)22-16-29-31(3)17-22;1-30-8-3-9-32(11-10-30)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-31(2)18-23;1-17-14-31(15-18(2)33-17)26-10-20(6-7-27-26)25(32)11-24-9-22-8-19(4-5-21(22)12-28-24)23-13-29-30(3)16-23/h3-5,8,11-13,15-17H,6-7,9-10,14,18-19H2,1-2H3;5-7,10-13,15-17H,2-4,8-9,14,18-19H2,1H3;4-5,10-13,15-17H,6-9,14H2,1-3H3;4-7,12-13,15-17H,8-11,14H2,1-3H3;4-7,12-14,16-18H,3,8-11,15H2,1-2H3;4-10,12-13,16-18H,11,14-15H2,1-3H3/t;;;;;17-,18+
InChIKeyIMNACLLXNWXKGD-SAYLCKSMSA-N
MW2681.35 g/mol
LogP23.91
Rot. Bonds30

About 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (PubChem CID 158742835) has the molecular formula C160H170N34O7 and a molecular weight of 2681.35 g/mol. Its IUPAC name is 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
PubChem CID158742835
Molecular FormulaC160H170N34O7
Molecular Weight2681.35 g/mol
Exact Mass2679.40
IUPAC Name1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn1)C2.CN1CCCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.C[C@@H]1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C[C@H](C)O1.Cc1c(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)ccnc1N1CCN(C)CC1.Cc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc(N2CCN(C)CC2)n1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC6(CCCCC6)C5)c4)cc3c2)cn1
InChIInChI=1S/C28H30N6O.C28H29N5O.3C26H28N6O.C26H27N5O2/c1-32-9-6-28(7-10-32)18-34(19-28)27-13-21(5-8-29-27)26(35)14-25-12-23-11-20(3-4-22(23)15-30-25)24-16-31-33(2)17-24;1-32-17-24(16-31-32)20-5-6-22-15-30-25(12-23(22)11-20)14-26(34)21-7-10-29-27(13-21)33-18-28(19-33)8-3-2-4-9-28;1-18-10-22(13-26(29-18)32-8-6-30(2)7-9-32)25(33)14-24-12-21-11-19(4-5-20(21)15-27-24)23-16-28-31(3)17-23;1-18-24(6-7-27-26(18)32-10-8-30(2)9-11-32)25(33)14-23-13-21-12-19(4-5-20(21)15-28-23)22-16-29-31(3)17-22;1-30-8-3-9-32(11-10-30)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-31(2)18-23;1-17-14-31(15-18(2)33-17)26-10-20(6-7-27-26)25(32)11-24-9-22-8-19(4-5-21(22)12-28-24)23-13-29-30(3)16-23/h3-5,8,11-13,15-17H,6-7,9-10,14,18-19H2,1-2H3;5-7,10-13,15-17H,2-4,8-9,14,18-19H2,1H3;4-5,10-13,15-17H,6-9,14H2,1-3H3;4-7,12-13,15-17H,8-11,14H2,1-3H3;4-7,12-14,16-18H,3,8-11,15H2,1-2H3;4-10,12-13,16-18H,11,14-15H2,1-3H3/t;;;;;17-,18+
InChIKeyIMNACLLXNWXKGD-SAYLCKSMSA-N
XLogP23.91
TPSA405.65 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002681.35
LogP ≤ 523.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[4-(2-Fluoroethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 147556735
2-[6-[1-Methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
CID 147108719
1-[2-[Methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 147429809
1-[2-(2,7-Diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 147851965
1-[2-[3-(Dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 147924108
2-[6-[1-Methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 148051515
2-[6-[1-Methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 148053609
1-[2-(7-Methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 148221020
1-[2-(7-Methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 148836695
1-[2-[4-(Dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 149031495
1-[2-(4-Cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 153019784
2-[6-[1-Methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 153081227

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (CID 158742835) is 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is CN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn1)C2.CN1CCCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.C[C@@H]1CN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C[C@H](C)O1.Cc1c(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)ccnc1N1CCN(C)CC1.Cc1cc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc(N2CCN(C)CC2)n1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CC6(CCCCC6)C5)c4)cc3c2)cn1.
What is the InChIKey of 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The InChIKey is IMNACLLXNWXKGD-SAYLCKSMSA-N. The full InChI is InChI=1S/C28H30N6O.C28H29N5O.3C26H28N6O.C26H27N5O2/c1-32-9-6-28(7-10-32)18-34(19-28)27-13-21(5-8-29-27)26(35)14-25-12-23-11-20(3-4-22(23)15-30-25)24-16-31-33(2)17-24;1-32-17-24(16-31-32)20-5-6-22-15-30-25(12-23(22)11-20)14-26(34)21-7-10-29-27(13-21)33-18-28(19-33)8-3-2-4-9-28;1-18-10-22(13-26(29-18)32-8-6-30(2)7-9-32)25(33)14-24-12-21-11-19(4-5-20(21)15-27-24)23-16-28-31(3)17-23;1-18-24(6-7-27-26(18)32-10-8-30(2)9-11-32)25(33)14-23-13-21-12-19(4-5-20(21)15-28-23)22-16-29-31(3)17-22;1-30-8-3-9-32(11-10-30)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-31(2)18-23;1-17-14-31(15-18(2)33-17)26-10-20(6-7-27-26)25(32)11-24-9-22-8-19(4-5-21(22)12-28-24)23-13-29-30(3)16-23/h3-5,8,11-13,15-17H,6-7,9-10,14,18-19H2,1-2H3;5-7,10-13,15-17H,2-4,8-9,14,18-19H2,1H3;4-5,10-13,15-17H,6-9,14H2,1-3H3;4-7,12-13,15-17H,8-11,14H2,1-3H3;4-7,12-14,16-18H,3,8-11,15H2,1-2H3;4-10,12-13,16-18H,11,14-15H2,1-3H3/t;;;;;17-,18+.
What are the key properties of 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone has a molecular weight of 2681.35 g/mol, XLogP of 23.91, 30 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 158742835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).