N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

C29H28ClF5N4O2 — CID 163202393

IUPACN-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn2c(C(=O)NCc3cc(F)c(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2c1.Cl
InChIInChI=1S/C29H27F5N4O2.ClH/c1-17-7-12-38-25(13-17)36-18(2)26(38)28(39)35-16-19-14-23(30)27(24(31)15-19)37-10-8-21(9-11-37)20-3-5-22(6-4-20)40-29(32,33)34;/h3-7,12-15,21H,8-11,16H2,1-2H3,(H,35,39);1H
InChIKeyURQIVTLGNROMPQ-UHFFFAOYSA-N
MW595.01 g/mol
LogP6.86
Rot. Bonds6

About N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163202393) has the molecular formula C29H28ClF5N4O2 and a molecular weight of 595.01 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
PubChem CID163202393
Molecular FormulaC29H28ClF5N4O2
Molecular Weight595.01 g/mol
Exact Mass594.18
IUPAC NameN-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCc1ccn2c(C(=O)NCc3cc(F)c(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2c1.Cl
InChIInChI=1S/C29H27F5N4O2.ClH/c1-17-7-12-38-25(13-17)36-18(2)26(38)28(39)35-16-19-14-23(30)27(24(31)15-19)37-10-8-21(9-11-37)20-3-5-22(6-4-20)40-29(32,33)34;/h3-7,12-15,21H,8-11,16H2,1-2H3,(H,35,39);1H
InChIKeyURQIVTLGNROMPQ-UHFFFAOYSA-N
XLogP6.86
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.01
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (CID 163202393) is N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is Cc1ccn2c(C(=O)NCc3cc(F)c(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2c1.Cl.
What is the InChIKey of N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The InChIKey is URQIVTLGNROMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F5N4O2.ClH/c1-17-7-12-38-25(13-17)36-18(2)26(38)28(39)35-16-19-14-23(30)27(24(31)15-19)37-10-8-21(9-11-37)20-3-5-22(6-4-20)40-29(32,33)34;/h3-7,12-15,21H,8-11,16H2,1-2H3,(H,35,39);1H.
What are the key properties of N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 595.01 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163202393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).