6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine

C48H48ClF3N8O2 — CID 163201622

IUPAC6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(Nc3ccc(N4CCCCC4)cc3)ncnc2c1
InChIInChI=1S/C29H28ClF3N4O2.C19H20N4/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;1-4-12-23(13-5-1)16-10-8-15(9-11-16)22-19-17-6-2-3-7-18(17)20-14-21-19/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-3,6-11,14H,1,4-5,12-13H2,(H,20,21,22)
InChIKeyLROJCKNKAGSCLI-UHFFFAOYSA-N
MW861.41 g/mol
LogP11.13
Rot. Bonds10

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine (PubChem CID 163201622) has the molecular formula C48H48ClF3N8O2 and a molecular weight of 861.41 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine
PubChem CID163201622
Molecular FormulaC48H48ClF3N8O2
Molecular Weight861.41 g/mol
Exact Mass860.35
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(Nc3ccc(N4CCCCC4)cc3)ncnc2c1
InChIInChI=1S/C29H28ClF3N4O2.C19H20N4/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;1-4-12-23(13-5-1)16-10-8-15(9-11-16)22-19-17-6-2-3-7-18(17)20-14-21-19/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-3,6-11,14H,1,4-5,12-13H2,(H,20,21,22)
InChIKeyLROJCKNKAGSCLI-UHFFFAOYSA-N
XLogP11.13
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.41
LogP ≤ 511.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine with MolForge

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Related Compounds

Telacebec
CID 68234908
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466897
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53467345
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67403725
7-Chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidinyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234870
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009976
6-chloro-2-ethyl-N-[[4-[3-[4-(trifluoromethoxy)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 141747062
6-chloro-2-ethyl-N-[[2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155558335
2-[4-[8-(2-Chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]acetamide
CID 117876328
2-Amino-1-[4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone
CID 117876593

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine (CID 163201622) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(Nc3ccc(N4CCCCC4)cc3)ncnc2c1.
What is the InChIKey of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine?
The InChIKey is LROJCKNKAGSCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C19H20N4/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;1-4-12-23(13-5-1)16-10-8-15(9-11-16)22-19-17-6-2-3-7-18(17)20-14-21-19/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-3,6-11,14H,1,4-5,12-13H2,(H,20,21,22).
What are the key properties of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine?
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine has a molecular weight of 861.41 g/mol, XLogP of 11.13, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-piperidin-1-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 163201622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).