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

C43H46ClF3N8O3 — CID 163202325

IUPAC6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(NCCN3CCOCC3)ncnc2c1
InChIInChI=1S/C29H28ClF3N4O2.C14H18N4O/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;1-2-4-13-12(3-1)14(17-11-16-13)15-5-6-18-7-9-19-10-8-18/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-4,11H,5-10H2,(H,15,16,17)
InChIKeyCABVSHXLTGIDQM-UHFFFAOYSA-N
MW815.34 g/mol
LogP8.14
Rot. Bonds11

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)quinazolin-4-amine (PubChem CID 163202325) has the molecular formula C43H46ClF3N8O3 and a molecular weight of 815.34 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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)quinazolin-4-amine
PubChem CID163202325
Molecular FormulaC43H46ClF3N8O3
Molecular Weight815.34 g/mol
Exact Mass814.33
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(NCCN3CCOCC3)ncnc2c1
InChIInChI=1S/C29H28ClF3N4O2.C14H18N4O/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;1-2-4-13-12(3-1)14(17-11-16-13)15-5-6-18-7-9-19-10-8-18/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-4,11H,5-10H2,(H,15,16,17)
InChIKeyCABVSHXLTGIDQM-UHFFFAOYSA-N
XLogP8.14
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.34
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)quinazolin-4-amine (CID 163202325) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(NCCN3CCOCC3)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-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The InChIKey is CABVSHXLTGIDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C14H18N4O/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;1-2-4-13-12(3-1)14(17-11-16-13)15-5-6-18-7-9-19-10-8-18/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-4,11H,5-10H2,(H,15,16,17).
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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)quinazolin-4-amine has a molecular weight of 815.34 g/mol, XLogP of 8.14, 11 rotatable bonds, 2 hydrogen bond donors, and 10 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-(2-morpholin-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 163202325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).