N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

C34H30F2N6O4 — CID 138969663

IUPACN-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCCOC(C)n1cc(-c2cc3c(cnn3C)cc2Oc2ccc(NC(=O)c3ccc(C)n(-c4ccc(F)cc4)c3=O)cc2F)cn1
InChIInChI=1S/C34H30F2N6O4/c1-5-45-21(3)41-19-23(18-38-41)28-16-30-22(17-37-40(30)4)14-32(28)46-31-13-9-25(15-29(31)36)39-33(43)27-12-6-20(2)42(34(27)44)26-10-7-24(35)8-11-26/h6-19,21H,5H2,1-4H3,(H,39,43)
InChIKeyVGZXJKFLBXDMDA-UHFFFAOYSA-N
MW624.65 g/mol
LogP6.77
Rot. Bonds9

About N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 138969663) has the molecular formula C34H30F2N6O4 and a molecular weight of 624.65 g/mol. Its IUPAC name is N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID138969663
Molecular FormulaC34H30F2N6O4
Molecular Weight624.65 g/mol
Exact Mass624.23
IUPAC NameN-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCCOC(C)n1cc(-c2cc3c(cnn3C)cc2Oc2ccc(NC(=O)c3ccc(C)n(-c4ccc(F)cc4)c3=O)cc2F)cn1
InChIInChI=1S/C34H30F2N6O4/c1-5-45-21(3)41-19-23(18-38-41)28-16-30-22(17-37-40(30)4)14-32(28)46-31-13-9-25(15-29(31)36)39-33(43)27-12-6-20(2)42(34(27)44)26-10-7-24(35)8-11-26/h6-19,21H,5H2,1-4H3,(H,39,43)
InChIKeyVGZXJKFLBXDMDA-UHFFFAOYSA-N
XLogP6.77
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.65
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (CID 138969663) is N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is CCOC(C)n1cc(-c2cc3c(cnn3C)cc2Oc2ccc(NC(=O)c3ccc(C)n(-c4ccc(F)cc4)c3=O)cc2F)cn1.
What is the InChIKey of N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VGZXJKFLBXDMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N6O4/c1-5-45-21(3)41-19-23(18-38-41)28-16-30-22(17-37-40(30)4)14-32(28)46-31-13-9-25(15-29(31)36)39-33(43)27-12-6-20(2)42(34(27)44)26-10-7-24(35)8-11-26/h6-19,21H,5H2,1-4H3,(H,39,43).
What are the key properties of N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 624.65 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[1-(1-ethoxyethyl)pyrazol-4-yl]-1-methylindazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 138969663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).