1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole

C18H19N3 — CID 141439021

IUPAC1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole
SMILESCc1nn(Cc2cccc(C3CCC3)n2)c2ccccc12
InChIInChI=1S/C18H19N3/c1-13-16-9-2-3-11-18(16)21(20-13)12-15-8-5-10-17(19-15)14-6-4-7-14/h2-3,5,8-11,14H,4,6-7,12H2,1H3
InChIKeyPOYGVYYCTGBWEW-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.06
Rot. Bonds3

About 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole

1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole (PubChem CID 141439021) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole.

Molecular Properties

Compound Name1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole
PubChem CID141439021
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole
SMILESCc1nn(Cc2cccc(C3CCC3)n2)c2ccccc12
InChIInChI=1S/C18H19N3/c1-13-16-9-2-3-11-18(16)21(20-13)12-15-8-5-10-17(19-15)14-6-4-7-14/h2-3,5,8-11,14H,4,6-7,12H2,1H3
InChIKeyPOYGVYYCTGBWEW-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole
CID 141439054
3-methyl-1-(piperidin-2-ylmethyl)indazole
CID 84793021
1-[(2,6-dichlorophenyl)methyl]-3-methylindazole
CID 58796715
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
7-chloro-N-[1-[(6-cyclopentyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67976260
ethane;3-methyl-1-propylindazole
CID 144653830
3-methyl-1-(2-piperidin-4-ylethyl)indazole
CID 82513483
(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride
CID 162422686
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride
CID 67974654
6-[(4-amino-3-cyclopropylindazol-1-yl)methyl]-2-methylpyridin-3-ol
CID 67251409

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole?
The IUPAC name of 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole (CID 141439021) is 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole.
What is the SMILES notation for 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole?
The canonical SMILES for 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole is Cc1nn(Cc2cccc(C3CCC3)n2)c2ccccc12.
What is the InChIKey of 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole?
The InChIKey is POYGVYYCTGBWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-16-9-2-3-11-18(16)21(20-13)12-15-8-5-10-17(19-15)14-6-4-7-14/h2-3,5,8-11,14H,4,6-7,12H2,1H3.
What are the key properties of 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole?
1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole has a molecular weight of 277.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole is sourced from PubChem (CID 141439021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).