N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

C32H23F2N5O3 — CID 59159925

IUPACN-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3ccc(C)n(-c4ccc(F)cc4)c3=O)cc2F)cn1
InChIInChI=1S/C32H23F2N5O3/c1-18-3-5-20(16-35-18)26-15-28-21(17-36-38-28)13-30(26)42-29-12-8-23(14-27(29)34)37-31(40)25-11-4-19(2)39(32(25)41)24-9-6-22(33)7-10-24/h3-17H,1-2H3,(H,36,38)(H,37,40)
InChIKeyIPGYHACYACVQKP-UHFFFAOYSA-N
MW563.56 g/mol
LogP6.72
Rot. Bonds6

About N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 59159925) has the molecular formula C32H23F2N5O3 and a molecular weight of 563.56 g/mol. Its IUPAC name is N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID59159925
Molecular FormulaC32H23F2N5O3
Molecular Weight563.56 g/mol
Exact Mass563.18
IUPAC NameN-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3ccc(C)n(-c4ccc(F)cc4)c3=O)cc2F)cn1
InChIInChI=1S/C32H23F2N5O3/c1-18-3-5-20(16-35-18)26-15-28-21(17-36-38-28)13-30(26)42-29-12-8-23(14-27(29)34)37-31(40)25-11-4-19(2)39(32(25)41)24-9-6-22(33)7-10-24/h3-17H,1-2H3,(H,36,38)(H,37,40)
InChIKeyIPGYHACYACVQKP-UHFFFAOYSA-N
XLogP6.72
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.56
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (CID 59159925) is N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is Cc1ccc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3ccc(C)n(-c4ccc(F)cc4)c3=O)cc2F)cn1.
What is the InChIKey of N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is IPGYHACYACVQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F2N5O3/c1-18-3-5-20(16-35-18)26-15-28-21(17-36-38-28)13-30(26)42-29-12-8-23(14-27(29)34)37-31(40)25-11-4-19(2)39(32(25)41)24-9-6-22(33)7-10-24/h3-17H,1-2H3,(H,36,38)(H,37,40).
What are the key properties of N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 563.56 g/mol, XLogP of 6.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59159925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).