1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone

C14H18N4O — CID 78847170

IUPAC1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cccc3cn[nH]c23)CC1
InChIInChI=1S/C14H18N4O/c1-17-6-3-7-18(9-8-17)14(19)12-5-2-4-11-10-15-16-13(11)12/h2,4-5,10H,3,6-9H2,1H3,(H,15,16)
InChIKeyWJDMHVWDVLRFPW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds1

About 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone

1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 78847170) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID78847170
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cccc3cn[nH]c23)CC1
InChIInChI=1S/C14H18N4O/c1-17-6-3-7-18(9-8-17)14(19)12-5-2-4-11-10-15-16-13(11)12/h2,4-5,10H,3,6-9H2,1H3,(H,15,16)
InChIKeyWJDMHVWDVLRFPW-UHFFFAOYSA-N
XLogP1.34
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone
CID 32773251
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 63998879
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37314320
1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37278337
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 38208820
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-7-yl)methanone
CID 38448028
N-(2,3-dimethylphenyl)-2-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]acetamide
CID 37205967
(2-hydroxy-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28775446
(2-fluoro-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80717951
(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
CID 166182991
1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734887

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone (CID 78847170) is 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2cccc3cn[nH]c23)CC1.
What is the InChIKey of 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is WJDMHVWDVLRFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-6-3-7-18(9-8-17)14(19)12-5-2-4-11-10-15-16-13(11)12/h2,4-5,10H,3,6-9H2,1H3,(H,15,16).
What are the key properties of 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 78847170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).