3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine

C21H29FN4 — CID 46968898

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine
SMILESCc1cc(C)n(CCCN(C)Cc2cn(C(C)C)c3cc(F)ccc23)n1
InChIInChI=1S/C21H29FN4/c1-15(2)25-14-18(20-8-7-19(22)12-21(20)25)13-24(5)9-6-10-26-17(4)11-16(3)23-26/h7-8,11-12,14-15H,6,9-10,13H2,1-5H3
InChIKeyFFSKCCIEVUEGEL-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.70
Rot. Bonds7

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine (PubChem CID 46968898) has the molecular formula C21H29FN4 and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine
PubChem CID46968898
Molecular FormulaC21H29FN4
Molecular Weight356.49 g/mol
Exact Mass356.24
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine
SMILESCc1cc(C)n(CCCN(C)Cc2cn(C(C)C)c3cc(F)ccc23)n1
InChIInChI=1S/C21H29FN4/c1-15(2)25-14-18(20-8-7-19(22)12-21(20)25)13-24(5)9-6-10-26-17(4)11-16(3)23-26/h7-8,11-12,14-15H,6,9-10,13H2,1-5H3
InChIKeyFFSKCCIEVUEGEL-UHFFFAOYSA-N
XLogP4.70
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine (CID 46968898) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine is Cc1cc(C)n(CCCN(C)Cc2cn(C(C)C)c3cc(F)ccc23)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is FFSKCCIEVUEGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4/c1-15(2)25-14-18(20-8-7-19(22)12-21(20)25)13-24(5)9-6-10-26-17(4)11-16(3)23-26/h7-8,11-12,14-15H,6,9-10,13H2,1-5H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine has a molecular weight of 356.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 46968898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).