N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

C32H37Cl2FN4O — CID 163202318

IUPACN-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CCN(c3ccc(C(C)(C)C)cc3)CC2)cc1F.Cl
InChIInChI=1S/C32H36ClFN4O.ClH/c1-5-28-30(38-20-25(33)10-13-29(38)36-28)31(39)35-19-23-7-6-22(18-27(23)34)21-14-16-37(17-15-21)26-11-8-24(9-12-26)32(2,3)4;/h6-13,18,20-21H,5,14-17,19H2,1-4H3,(H,35,39);1H
InChIKeyPWQIBJPRCGISCD-UHFFFAOYSA-N
MW583.58 g/mol
LogP7.72
Rot. Bonds6

About N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163202318) has the molecular formula C32H37Cl2FN4O and a molecular weight of 583.58 g/mol. Its IUPAC name is N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
PubChem CID163202318
Molecular FormulaC32H37Cl2FN4O
Molecular Weight583.58 g/mol
Exact Mass582.23
IUPAC NameN-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CCN(c3ccc(C(C)(C)C)cc3)CC2)cc1F.Cl
InChIInChI=1S/C32H36ClFN4O.ClH/c1-5-28-30(38-20-25(33)10-13-29(38)36-28)31(39)35-19-23-7-6-22(18-27(23)34)21-14-16-37(17-15-21)26-11-8-24(9-12-26)32(2,3)4;/h6-13,18,20-21H,5,14-17,19H2,1-4H3,(H,35,39);1H
InChIKeyPWQIBJPRCGISCD-UHFFFAOYSA-N
XLogP7.72
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.58
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442269
6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194026
6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135193991
6-chloro-2-ethyl-N-[[4-(1-pyridin-3-ylpiperidin-4-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194050
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194010
2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442279
N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90479982
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]quinazolin-4-amine
CID 163201719
6-chloro-2-ethyl-N-[[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009880
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
CID 162068934
6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 155533904
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-2-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-4-amine
CID 163201633

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (CID 163202318) is N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CCN(c3ccc(C(C)(C)C)cc3)CC2)cc1F.Cl.
What is the InChIKey of N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The InChIKey is PWQIBJPRCGISCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClFN4O.ClH/c1-5-28-30(38-20-25(33)10-13-29(38)36-28)31(39)35-19-23-7-6-22(18-27(23)34)21-14-16-37(17-15-21)26-11-8-24(9-12-26)32(2,3)4;/h6-13,18,20-21H,5,14-17,19H2,1-4H3,(H,35,39);1H.
What are the key properties of N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 583.58 g/mol, XLogP of 7.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163202318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).