cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one

C99H112N20O4 — CID 158611608

IUPACcyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one
SMILESO=C(C1CCCCC1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccccc1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(Cc1ccccc1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(c1ccccc1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C26H29N5O.C25H27N5O.C24H31N5O.C24H25N5O/c32-26(11-8-20-5-2-1-3-6-20)30-13-4-7-21(12-14-30)19-31-25-10-9-22(15-23(25)18-29-31)24-16-27-28-17-24;31-25(13-19-5-2-1-3-6-19)29-11-4-7-20(10-12-29)18-30-24-9-8-21(14-22(24)17-28-30)23-15-26-27-16-23;2*30-24(19-6-2-1-3-7-19)28-11-4-5-18(10-12-28)17-29-23-9-8-20(13-21(23)16-27-29)22-14-25-26-15-22/h1-3,5-6,9-10,15-18,21H,4,7-8,11-14,19H2,(H,27,28);1-3,5-6,8-9,14-17,20H,4,7,10-13,18H2,(H,26,27);8-9,13-16,18-19H,1-7,10-12,17H2,(H,25,26);1-3,6-9,13-16,18H,4-5,10-12,17H2,(H,25,26)
InChIKeyHWXCNGYITMWUEQ-UHFFFAOYSA-N
MW1646.12 g/mol
LogP17.99
Rot. Bonds19

About cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one

cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one (PubChem CID 158611608) has the molecular formula C99H112N20O4 and a molecular weight of 1646.12 g/mol. Its IUPAC name is cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one.

Molecular Properties

Compound Namecyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one
PubChem CID158611608
Molecular FormulaC99H112N20O4
Molecular Weight1646.12 g/mol
Exact Mass1644.92
IUPAC Namecyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one
SMILESO=C(C1CCCCC1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccccc1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(Cc1ccccc1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(c1ccccc1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C26H29N5O.C25H27N5O.C24H31N5O.C24H25N5O/c32-26(11-8-20-5-2-1-3-6-20)30-13-4-7-21(12-14-30)19-31-25-10-9-22(15-23(25)18-29-31)24-16-27-28-17-24;31-25(13-19-5-2-1-3-6-19)29-11-4-7-20(10-12-29)18-30-24-9-8-21(14-22(24)17-28-30)23-15-26-27-16-23;2*30-24(19-6-2-1-3-7-19)28-11-4-5-18(10-12-28)17-29-23-9-8-20(13-21(23)16-27-29)22-14-25-26-15-22/h1-3,5-6,9-10,15-18,21H,4,7-8,11-14,19H2,(H,27,28);1-3,5-6,8-9,14-17,20H,4,7,10-13,18H2,(H,26,27);8-9,13-16,18-19H,1-7,10-12,17H2,(H,25,26);1-3,6-9,13-16,18H,4-5,10-12,17H2,(H,25,26)
InChIKeyHWXCNGYITMWUEQ-UHFFFAOYSA-N
XLogP17.99
TPSA267.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001646.12
LogP ≤ 517.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one with MolForge

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Related Compounds

3-(2-methoxyphenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one
CID 118682245
phenyl-[3-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674511
1-[4-[[2-methyl-5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 118354885
(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone
CID 118674449
1-[4-[[5-(1-iodophosphanylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-2-phenylethanone
CID 129197351
cyclohexyl-[(4S)-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone
CID 130434277
cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone
CID 118674355
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
3-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118683542
cyclohexyl-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 157083586
5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
CID 118674487
1-[4-[[2-methanimidoyl-4-(1H-pyrazol-4-yl)anilino]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 145005470

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one?
The IUPAC name of cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one (CID 158611608) is cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one.
What is the SMILES notation for cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one?
The canonical SMILES for cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one is O=C(C1CCCCC1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccccc1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(Cc1ccccc1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(c1ccccc1)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one?
The InChIKey is HWXCNGYITMWUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O.C25H27N5O.C24H31N5O.C24H25N5O/c32-26(11-8-20-5-2-1-3-6-20)30-13-4-7-21(12-14-30)19-31-25-10-9-22(15-23(25)18-29-31)24-16-27-28-17-24;31-25(13-19-5-2-1-3-6-19)29-11-4-7-20(10-12-29)18-30-24-9-8-21(14-22(24)17-28-30)23-15-26-27-16-23;2*30-24(19-6-2-1-3-7-19)28-11-4-5-18(10-12-28)17-29-23-9-8-20(13-21(23)16-27-29)22-14-25-26-15-22/h1-3,5-6,9-10,15-18,21H,4,7-8,11-14,19H2,(H,27,28);1-3,5-6,8-9,14-17,20H,4,7,10-13,18H2,(H,26,27);8-9,13-16,18-19H,1-7,10-12,17H2,(H,25,26);1-3,6-9,13-16,18H,4-5,10-12,17H2,(H,25,26).
What are the key properties of cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one?
cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one has a molecular weight of 1646.12 g/mol, XLogP of 17.99, 19 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;2-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]ethanone;phenyl-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]methanone;3-phenyl-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one is sourced from PubChem (CID 158611608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).