N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide

C26H22FN7O2 — CID 86274064

IUPACN-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Nc2ccncc2)nc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C26H22FN7O2/c1-36-16-24(35)30-23-14-22(29-18-10-12-28-13-11-18)31-26(32-23)25-19-7-3-5-9-21(19)34(33-25)15-17-6-2-4-8-20(17)27/h2-14H,15-16H2,1H3,(H2,28,29,30,31,32,35)
InChIKeyUIRZNORYCBEJBT-UHFFFAOYSA-N
MW483.51 g/mol
LogP4.40
Rot. Bonds8

About N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide

N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide (PubChem CID 86274064) has the molecular formula C26H22FN7O2 and a molecular weight of 483.51 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide
PubChem CID86274064
Molecular FormulaC26H22FN7O2
Molecular Weight483.51 g/mol
Exact Mass483.18
IUPAC NameN-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Nc2ccncc2)nc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C26H22FN7O2/c1-36-16-24(35)30-23-14-22(29-18-10-12-28-13-11-18)31-26(32-23)25-19-7-3-5-9-21(19)34(33-25)15-17-6-2-4-8-20(17)27/h2-14H,15-16H2,1H3,(H2,28,29,30,31,32,35)
InChIKeyUIRZNORYCBEJBT-UHFFFAOYSA-N
XLogP4.40
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide
CID 153407857
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 86732462
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-(methylsulfanylmethyl)-N-pyridin-4-ylpyrimidin-4-amine
CID 118962567
[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide
CID 71554316
(2S)-3-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxypropane-1,2-diol
CID 89487399
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine
CID 89495310
4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 150397331
1-[3,5-difluoro-4-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]ethanone
CID 86732438
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-2-ylpyrimidin-4-amine
CID 130405195
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-pyrimidin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 118962734
2-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-N-(3-methoxy-4-pyridinyl)-6-methylpyrimidin-4-amine
CID 118962636
2-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxy-1-(3-fluoroazetidin-1-yl)ethanone
CID 89487470

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide (CID 86274064) is N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide is COCC(=O)Nc1cc(Nc2ccncc2)nc(-c2nn(Cc3ccccc3F)c3ccccc23)n1.
What is the InChIKey of N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide?
The InChIKey is UIRZNORYCBEJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O2/c1-36-16-24(35)30-23-14-22(29-18-10-12-28-13-11-18)31-26(32-23)25-19-7-3-5-9-21(19)34(33-25)15-17-6-2-4-8-20(17)27/h2-14H,15-16H2,1H3,(H2,28,29,30,31,32,35).
What are the key properties of N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide?
N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide has a molecular weight of 483.51 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 86274064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).