(6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone

C14H16ClN3O2 — CID 166279930

IUPAC(6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CCN(C(=O)c2c(Cl)ccc3cn[nH]c23)CCO1
InChIInChI=1S/C14H16ClN3O2/c1-9-4-5-18(6-7-20-9)14(19)12-11(15)3-2-10-8-16-17-13(10)12/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyKOXYRNWCXYSIIN-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.47
Rot. Bonds1

About (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone

(6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 166279930) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID166279930
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name(6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CCN(C(=O)c2c(Cl)ccc3cn[nH]c23)CCO1
InChIInChI=1S/C14H16ClN3O2/c1-9-4-5-18(6-7-20-9)14(19)12-11(15)3-2-10-8-16-17-13(10)12/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyKOXYRNWCXYSIIN-UHFFFAOYSA-N
XLogP2.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-chloro-1H-indazol-7-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 166277953
(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647342
(2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647236
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86846041
(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648286
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 47459227
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide
CID 97258760
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone (CID 166279930) is (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone is CC1CCN(C(=O)c2c(Cl)ccc3cn[nH]c23)CCO1.
What is the InChIKey of (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is KOXYRNWCXYSIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-4-5-18(6-7-20-9)14(19)12-11(15)3-2-10-8-16-17-13(10)12/h2-3,8-9H,4-7H2,1H3,(H,16,17).
What are the key properties of (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone?
(6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 293.75 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indazol-7-yl)-(7-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 166279930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).