1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole

C24H24N4 — CID 90893052

IUPAC1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole
SMILESc1ccc(Cn2ncc3cc(-c4cccc(N5CCCCC5)n4)ccc32)cc1
InChIInChI=1S/C24H24N4/c1-3-8-19(9-4-1)18-28-23-13-12-20(16-21(23)17-25-28)22-10-7-11-24(26-22)27-14-5-2-6-15-27/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2
InChIKeyJECPFDCRKBOYSM-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.14
Rot. Bonds4

About 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole

1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole (PubChem CID 90893052) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole.

Molecular Properties

Compound Name1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole
PubChem CID90893052
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole
SMILESc1ccc(Cn2ncc3cc(-c4cccc(N5CCCCC5)n4)ccc32)cc1
InChIInChI=1S/C24H24N4/c1-3-8-19(9-4-1)18-28-23-13-12-20(16-21(23)17-25-28)22-10-7-11-24(26-22)27-14-5-2-6-15-27/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2
InChIKeyJECPFDCRKBOYSM-UHFFFAOYSA-N
XLogP5.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-pyridazin-3-ylindazole
CID 173219468
1-benzyl-5-pyridazin-4-ylindazole
CID 173219391
N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 22727449
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
2-(1-benzylindazol-5-yl)-7-iodoquinazolin-4-amine
CID 57038816
N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
CID 169370080
1-benzyl-5,6-dimethoxyindazole
CID 83414174
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
CID 169188030
2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
CID 59825455
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
1-benzyl-6-fluoroindazole
CID 83414179

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole?
The IUPAC name of 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole (CID 90893052) is 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole.
What is the SMILES notation for 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole?
The canonical SMILES for 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole is c1ccc(Cn2ncc3cc(-c4cccc(N5CCCCC5)n4)ccc32)cc1.
What is the InChIKey of 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole?
The InChIKey is JECPFDCRKBOYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-3-8-19(9-4-1)18-28-23-13-12-20(16-21(23)17-25-28)22-10-7-11-24(26-22)27-14-5-2-6-15-27/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2.
What are the key properties of 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole?
1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole has a molecular weight of 368.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole is sourced from PubChem (CID 90893052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).