(3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide

C18H19N3O2 — CID 59831721

IUPAC(3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c2[nH]ncc12
InChIInChI=1S/C18H19N3O2/c1-19-17(22)10-14(12-6-4-3-5-7-12)13-8-9-16(23-2)18-15(13)11-20-21-18/h3-9,11,14H,10H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyMXBJZMDXNLSBQS-AWEZNQCLSA-N
MW309.37 g/mol
LogP2.84
Rot. Bonds5

About (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide

(3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide (PubChem CID 59831721) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide
PubChem CID59831721
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c2[nH]ncc12
InChIInChI=1S/C18H19N3O2/c1-19-17(22)10-14(12-6-4-3-5-7-12)13-8-9-16(23-2)18-15(13)11-20-21-18/h3-9,11,14H,10H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyMXBJZMDXNLSBQS-AWEZNQCLSA-N
XLogP2.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropanamide
CID 67356165
N-methyl-3,3-diphenylpropanamide
CID 3373592
3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide
CID 67356537
3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide
CID 90931792
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
CID 116850705
3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 59831836
N-methyl-3-phenyl-3-trimethylsilylpropanamide
CID 16732522
(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93122462
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
3,3-diphenyl-N-(trideuteriomethyl)propanamide
CID 46782233

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide (CID 59831721) is (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide is CNC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c2[nH]ncc12.
What is the InChIKey of (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide?
The InChIKey is MXBJZMDXNLSBQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-19-17(22)10-14(12-6-4-3-5-7-12)13-8-9-16(23-2)18-15(13)11-20-21-18/h3-9,11,14H,10H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1.
What are the key properties of (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide?
(3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide has a molecular weight of 309.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 59831721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).