furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone

C18H22N4O3 — CID 134712403

IUPACfuran-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCN(C(=O)c2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C18H22N4O3/c23-17(13-6-11-25-12-13)21-7-3-8-22(10-9-21)18(24)16-14-4-1-2-5-15(14)19-20-16/h6,11-12H,1-5,7-10H2,(H,19,20)
InChIKeyPIUOOVQKIIKOIL-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.87
Rot. Bonds2

About furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone

furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 134712403) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID134712403
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namefuran-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCN(C(=O)c2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C18H22N4O3/c23-17(13-6-11-25-12-13)21-7-3-8-22(10-9-21)18(24)16-14-4-1-2-5-15(14)19-20-16/h6,11-12H,1-5,7-10H2,(H,19,20)
InChIKeyPIUOOVQKIIKOIL-UHFFFAOYSA-N
XLogP1.87
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

furan-3-yl-[3-(4-phenylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076151
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134701735
1-[4-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 46921350
[4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 46379720
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 110388861
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
2-(3-methyl-1,2-oxazol-5-yl)-1-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134713194
furan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185455

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone (CID 134712403) is furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone is O=C(c1ccoc1)N1CCCN(C(=O)c2n[nH]c3c2CCCC3)CC1.
What is the InChIKey of furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is PIUOOVQKIIKOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(13-6-11-25-12-13)21-7-3-8-22(10-9-21)18(24)16-14-4-1-2-5-15(14)19-20-16/h6,11-12H,1-5,7-10H2,(H,19,20).
What are the key properties of furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134712403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).