3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole

C14H18BrN3 — CID 117493169

IUPAC3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole
SMILESCn1nc(Br)c2cccc(CC3CCNCC3)c21
InChIInChI=1S/C14H18BrN3/c1-18-13-11(9-10-5-7-16-8-6-10)3-2-4-12(13)14(15)17-18/h2-4,10,16H,5-9H2,1H3
InChIKeyOGOMNTSMMGONRC-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.88
Rot. Bonds2

About 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole

3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole (PubChem CID 117493169) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole.

Molecular Properties

Compound Name3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole
PubChem CID117493169
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole
SMILESCn1nc(Br)c2cccc(CC3CCNCC3)c21
InChIInChI=1S/C14H18BrN3/c1-18-13-11(9-10-5-7-16-8-6-10)3-2-4-12(13)14(15)17-18/h2-4,10,16H,5-9H2,1H3
InChIKeyOGOMNTSMMGONRC-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-1-methylindazol-7-yl)-N-methylmethanamine
CID 83900931
4-(3-bromo-1-methylindazol-7-yl)butan-1-amine
CID 117453259
1-methyl-3-(piperidin-4-ylmethyl)indazole
CID 84692872
1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
CID 84692879
1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole
CID 117360773
1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one
CID 117399770
7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole
CID 98034395
7-(piperidin-4-ylmethyl)-1,2-benzothiazole
CID 84795660
1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 84744304
1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
CID 117436744
3-bromo-1-methyl-6-piperidin-4-yloxyindazole
CID 177142361
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole?
The IUPAC name of 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole (CID 117493169) is 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole.
What is the SMILES notation for 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole?
The canonical SMILES for 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole is Cn1nc(Br)c2cccc(CC3CCNCC3)c21.
What is the InChIKey of 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole?
The InChIKey is OGOMNTSMMGONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-18-13-11(9-10-5-7-16-8-6-10)3-2-4-12(13)14(15)17-18/h2-4,10,16H,5-9H2,1H3.
What are the key properties of 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole?
3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole has a molecular weight of 308.22 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole is sourced from PubChem (CID 117493169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).