N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide

C28H24F2N6O3 — CID 89487142

IUPACN-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide
SMILESCCOc1cc(F)c(Cn2nc(-c3nccc(N(C(=O)COC)c4ccncc4)n3)c3ccccc32)c(F)c1
InChIInChI=1S/C28H24F2N6O3/c1-3-39-19-14-22(29)21(23(30)15-19)16-35-24-7-5-4-6-20(24)27(34-35)28-32-13-10-25(33-28)36(26(37)17-38-2)18-8-11-31-12-9-18/h4-15H,3,16-17H2,1-2H3
InChIKeyWUABGMMCIVANAE-UHFFFAOYSA-N
MW530.54 g/mol
LogP4.92
Rot. Bonds9

About N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide

N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide (PubChem CID 89487142) has the molecular formula C28H24F2N6O3 and a molecular weight of 530.54 g/mol. Its IUPAC name is N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide
PubChem CID89487142
Molecular FormulaC28H24F2N6O3
Molecular Weight530.54 g/mol
Exact Mass530.19
IUPAC NameN-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide
SMILESCCOc1cc(F)c(Cn2nc(-c3nccc(N(C(=O)COC)c4ccncc4)n3)c3ccccc32)c(F)c1
InChIInChI=1S/C28H24F2N6O3/c1-3-39-19-14-22(29)21(23(30)15-19)16-35-24-7-5-4-6-20(24)27(34-35)28-32-13-10-25(33-28)36(26(37)17-38-2)18-8-11-31-12-9-18/h4-15H,3,16-17H2,1-2H3
InChIKeyWUABGMMCIVANAE-UHFFFAOYSA-N
XLogP4.92
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
2-(3,5-difluoro-4-((3-(5-methoxy-4-((3-methoxypyridin-4-yl)amino)pyrimidin-2-yl)-1H-indazol-1-yl)methyl)phenoxy)ethan-1-ol
CID 118958833
6-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023791
Triazolopyridazine, 10f
CID 24824705
Triazolopyridazine, 10a
CID 24864822
4-((6-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)-7-methoxyquinoline
CID 24864823
Triazolopyridazine, 10c
CID 24864824
Triazolopyridazine, 10d
CID 24864825
Triazolopyridazine, 10e
CID 24864993
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 72202254

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide?
The IUPAC name of N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide (CID 89487142) is N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide.
What is the SMILES notation for N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide?
The canonical SMILES for N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide is CCOc1cc(F)c(Cn2nc(-c3nccc(N(C(=O)COC)c4ccncc4)n3)c3ccccc32)c(F)c1.
What is the InChIKey of N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide?
The InChIKey is WUABGMMCIVANAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N6O3/c1-3-39-19-14-22(29)21(23(30)15-19)16-35-24-7-5-4-6-20(24)27(34-35)28-32-13-10-25(33-28)36(26(37)17-38-2)18-8-11-31-12-9-18/h4-15H,3,16-17H2,1-2H3.
What are the key properties of N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide?
N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide has a molecular weight of 530.54 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-2-methoxy-N-pyridin-4-ylacetamide is sourced from PubChem (CID 89487142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).