6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine

C51H44ClF6N7O4 — CID 163201706

IUPAC6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.COc1ccc2c(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)ncnc2c1
InChIInChI=1S/C29H28ClF3N4O2.C22H16F3N3O2/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;1-29-18-10-11-19-20(12-18)26-13-27-21(19)28-15-4-8-17(9-5-15)30-16-6-2-14(3-7-16)22(23,24)25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-13H,1H3,(H,26,27,28)
InChIKeyHFDAWBICVPABAE-UHFFFAOYSA-N
MW968.40 g/mol
LogP12.96
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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (PubChem CID 163201706) has the molecular formula C51H44ClF6N7O4 and a molecular weight of 968.40 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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
PubChem CID163201706
Molecular FormulaC51H44ClF6N7O4
Molecular Weight968.40 g/mol
Exact Mass967.30
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.COc1ccc2c(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)ncnc2c1
InChIInChI=1S/C29H28ClF3N4O2.C22H16F3N3O2/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;1-29-18-10-11-19-20(12-18)26-13-27-21(19)28-15-4-8-17(9-5-15)30-16-6-2-14(3-7-16)22(23,24)25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-13H,1H3,(H,26,27,28)
InChIKeyHFDAWBICVPABAE-UHFFFAOYSA-N
XLogP12.96
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.40
LogP ≤ 512.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (CID 163201706) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.COc1ccc2c(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The InChIKey is HFDAWBICVPABAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C22H16F3N3O2/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;1-29-18-10-11-19-20(12-18)26-13-27-21(19)28-15-4-8-17(9-5-15)30-16-6-2-14(3-7-16)22(23,24)25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-13H,1H3,(H,26,27,28).
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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine has a molecular weight of 968.40 g/mol, XLogP of 12.96, 12 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;7-methoxy-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 163201706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).