N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine

C20H25ClN4O2 — CID 59494683

IUPACN-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine
SMILESCOCCCn1nc(-c2c(C)noc2C)c2c(Cl)cc(CNC3CC3)cc21
InChIInChI=1S/C20H25ClN4O2/c1-12-18(13(2)27-24-12)20-19-16(21)9-14(11-22-15-5-6-15)10-17(19)25(23-20)7-4-8-26-3/h9-10,15,22H,4-8,11H2,1-3H3
InChIKeyWQWKUYBWEBHIPM-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.25
Rot. Bonds8

About N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine

N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine (PubChem CID 59494683) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine
PubChem CID59494683
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC NameN-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine
SMILESCOCCCn1nc(-c2c(C)noc2C)c2c(Cl)cc(CNC3CC3)cc21
InChIInChI=1S/C20H25ClN4O2/c1-12-18(13(2)27-24-12)20-19-16(21)9-14(11-22-15-5-6-15)10-17(19)25(23-20)7-4-8-26-3/h9-10,15,22H,4-8,11H2,1-3H3
InChIKeyWQWKUYBWEBHIPM-UHFFFAOYSA-N
XLogP4.25
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine 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

N-[[4-chloro-1-(3-methoxypropyl)-3-pyrimidin-5-ylindazol-6-yl]methyl]cyclopropanamine
CID 59494907
N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine
CID 59494382
N-[[4-chloro-1-(3-methoxypropyl)-6-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 59494685
N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine
CID 59494816
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-4-amine
CID 43215966
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62440537
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine (CID 59494683) is N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine is COCCCn1nc(-c2c(C)noc2C)c2c(Cl)cc(CNC3CC3)cc21.
What is the InChIKey of N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine?
The InChIKey is WQWKUYBWEBHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-12-18(13(2)27-24-12)20-19-16(21)9-14(11-22-15-5-6-15)10-17(19)25(23-20)7-4-8-26-3/h9-10,15,22H,4-8,11H2,1-3H3.
What are the key properties of N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine?
N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine has a molecular weight of 388.90 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine is sourced from PubChem (CID 59494683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).