2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine

C32H35N5 — CID 141281119

IUPAC2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine
SMILESCc1nn(-c2cccc(NC3CC(C)(C)NC(C)(C)C3)c2)c2cccc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C32H35N5/c1-21-30-27(23-16-22-10-6-7-14-28(22)33-20-23)13-9-15-29(30)37(35-21)26-12-8-11-24(17-26)34-25-18-31(2,3)36-32(4,5)19-25/h6-17,20,25,34,36H,18-19H2,1-5H3
InChIKeyLMEPAETWRPWJNA-UHFFFAOYSA-N
MW489.67 g/mol
LogP7.27
Rot. Bonds4

About 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine

2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 141281119) has the molecular formula C32H35N5 and a molecular weight of 489.67 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine
PubChem CID141281119
Molecular FormulaC32H35N5
Molecular Weight489.67 g/mol
Exact Mass489.29
IUPAC Name2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine
SMILESCc1nn(-c2cccc(NC3CC(C)(C)NC(C)(C)C3)c2)c2cccc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C32H35N5/c1-21-30-27(23-16-22-10-6-7-14-28(22)33-20-23)13-9-15-29(30)37(35-21)26-12-8-11-24(17-26)34-25-18-31(2,3)36-32(4,5)19-25/h6-17,20,25,34,36H,18-19H2,1-5H3
InChIKeyLMEPAETWRPWJNA-UHFFFAOYSA-N
XLogP7.27
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.67
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine (CID 141281119) is 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine is Cc1nn(-c2cccc(NC3CC(C)(C)NC(C)(C)C3)c2)c2cccc(-c3cnc4ccccc4c3)c12.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is LMEPAETWRPWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5/c1-21-30-27(23-16-22-10-6-7-14-28(22)33-20-23)13-9-15-29(30)37(35-21)26-12-8-11-24(17-26)34-25-18-31(2,3)36-32(4,5)19-25/h6-17,20,25,34,36H,18-19H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine?
2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 489.67 g/mol, XLogP of 7.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 141281119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).