2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide

C32H46BrN5O2 — CID 56600126

IUPAC2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOc1ccc(Br)cc1-c1nc2cnc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCCN1CCCCC1
InChIInChI=1S/C32H46BrN5O2/c1-23(2)12-18-37(19-13-24(3)4)32(39)27-21-29-28(22-34-27)35-31(26-20-25(33)10-11-30(26)40-5)38(29)17-9-16-36-14-7-6-8-15-36/h10-11,20-24H,6-9,12-19H2,1-5H3
InChIKeyJLBWLZBWXAEVPR-UHFFFAOYSA-N
MW612.66 g/mol
LogP7.28
Rot. Bonds13

About 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide

2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 56600126) has the molecular formula C32H46BrN5O2 and a molecular weight of 612.66 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID56600126
Molecular FormulaC32H46BrN5O2
Molecular Weight612.66 g/mol
Exact Mass611.28
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOc1ccc(Br)cc1-c1nc2cnc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCCN1CCCCC1
InChIInChI=1S/C32H46BrN5O2/c1-23(2)12-18-37(19-13-24(3)4)32(39)27-21-29-28(22-34-27)35-31(26-20-25(33)10-11-30(26)40-5)38(29)17-9-16-36-14-7-6-8-15-36/h10-11,20-24H,6-9,12-19H2,1-5H3
InChIKeyJLBWLZBWXAEVPR-UHFFFAOYSA-N
XLogP7.28
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.66
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (CID 56600126) is 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is COc1ccc(Br)cc1-c1nc2cnc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCCN1CCCCC1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is JLBWLZBWXAEVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46BrN5O2/c1-23(2)12-18-37(19-13-24(3)4)32(39)27-21-29-28(22-34-27)35-31(26-20-25(33)10-11-30(26)40-5)38(29)17-9-16-36-14-7-6-8-15-36/h10-11,20-24H,6-9,12-19H2,1-5H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?
2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 612.66 g/mol, XLogP of 7.28, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N,N-bis(3-methylbutyl)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 56600126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).