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-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine

C52H49ClF3N7O3 — CID 163201763

IUPAC6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine
SMILESCC(C)Oc1ccc(-c2ccc(Nc3ncnc4ccccc34)cc2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C29H28ClF3N4O2.C23H21N3O/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;1-16(2)27-20-13-9-18(10-14-20)17-7-11-19(12-8-17)26-23-21-5-3-4-6-22(21)24-15-25-23/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);3-16H,1-2H3,(H,24,25,26)
InChIKeyQKXSKOIGCVASCK-UHFFFAOYSA-N
MW912.46 g/mol
LogP12.59
Rot. Bonds12

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-(4-propan-2-yloxyphenyl)phenyl]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-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine (PubChem CID 163201763) has the molecular formula C52H49ClF3N7O3 and a molecular weight of 912.46 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-(4-propan-2-yloxyphenyl)phenyl]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-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine
PubChem CID163201763
Molecular FormulaC52H49ClF3N7O3
Molecular Weight912.46 g/mol
Exact Mass911.35
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-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine
SMILESCC(C)Oc1ccc(-c2ccc(Nc3ncnc4ccccc34)cc2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C29H28ClF3N4O2.C23H21N3O/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;1-16(2)27-20-13-9-18(10-14-20)17-7-11-19(12-8-17)26-23-21-5-3-4-6-22(21)24-15-25-23/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);3-16H,1-2H3,(H,24,25,26)
InChIKeyQKXSKOIGCVASCK-UHFFFAOYSA-N
XLogP12.59
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.46
LogP ≤ 512.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine with MolForge

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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-[4-(4-propan-2-yloxyphenyl)phenyl]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-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine (CID 163201763) 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-(4-propan-2-yloxyphenyl)phenyl]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-(4-propan-2-yloxyphenyl)phenyl]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-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine is CC(C)Oc1ccc(-c2ccc(Nc3ncnc4ccccc34)cc2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.
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-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine?
The InChIKey is QKXSKOIGCVASCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C23H21N3O/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;1-16(2)27-20-13-9-18(10-14-20)17-7-11-19(12-8-17)26-23-21-5-3-4-6-22(21)24-15-25-23/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);3-16H,1-2H3,(H,24,25,26).
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-(4-propan-2-yloxyphenyl)phenyl]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-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine has a molecular weight of 912.46 g/mol, XLogP of 12.59, 12 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-(4-propan-2-yloxyphenyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 163201763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).