[4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol

C26H26ClFN6O2 — CID 143465785

IUPAC[4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol
SMILESNc1cc(Oc2ccc(NC(O)Nc3cc(C4CCCC4)nn3-c3ccc(Cl)cc3)c(F)c2)ccn1
InChIInChI=1S/C26H26ClFN6O2/c27-17-5-7-18(8-6-17)34-25(15-23(33-34)16-3-1-2-4-16)32-26(35)31-22-10-9-19(13-21(22)28)36-20-11-12-30-24(29)14-20/h5-16,26,31-32,35H,1-4H2,(H2,29,30)
InChIKeyLAGKDICZMARXFG-UHFFFAOYSA-N
MW508.99 g/mol
LogP5.89
Rot. Bonds8

About [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol

[4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol (PubChem CID 143465785) has the molecular formula C26H26ClFN6O2 and a molecular weight of 508.99 g/mol. Its IUPAC name is [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol.

Molecular Properties

Compound Name[4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol
PubChem CID143465785
Molecular FormulaC26H26ClFN6O2
Molecular Weight508.99 g/mol
Exact Mass508.18
IUPAC Name[4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol
SMILESNc1cc(Oc2ccc(NC(O)Nc3cc(C4CCCC4)nn3-c3ccc(Cl)cc3)c(F)c2)ccn1
InChIInChI=1S/C26H26ClFN6O2/c27-17-5-7-18(8-6-17)34-25(15-23(33-34)16-3-1-2-4-16)32-26(35)31-22-10-9-19(13-21(22)28)36-20-11-12-30-24(29)14-20/h5-16,26,31-32,35H,1-4H2,(H2,29,30)
InChIKeyLAGKDICZMARXFG-UHFFFAOYSA-N
XLogP5.89
TPSA110.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.99
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-Tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 46197771
1-[4-(2-Amino-pyridin-4-yloxy)-2-fluoro-phenyl]-3-[5-tert-butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-urea
CID 118102585
1-[5-Tert-but yl-2-(3-fluorophenyl)pyrazol-3-yl]-3-[2-fluoro-4-(4-pyridyloxy)phenyl]urea
CID 141209830
1-[5-tert-Butyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[2-fluoro-4-(pyridin-4-yloxy)-phenyl]-urea
CID 147225342
1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[2-fluoro-4-(3-methyl-pyridin-4-yloxy)-phenyl]-urea
CID 149303919
2-[4-[[4-[1-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155451138
1-[2-Fluoro-4-(pyridin-4-yloxy)-phenyl]-3-[5-(2-hydroxy-1,1-dimethyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea
CID 156239941
1-[1-[4-(2-Aminoethoxy)phenyl]-3-tert-butylpyrazol-5-yl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 11613280
1-[3-Tert-butyl-1-[4-(3-hydroxypropylamino)phenyl]pyrazol-5-yl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 11663756
1-[3-Tert-butyl-1-[4-(2-hydroxyethylamino)phenyl]pyrazol-5-yl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 11699255
1-[3-Tert-butyl-1-[4-(3-hydroxypropoxy)phenyl]pyrazol-5-yl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 11713522
1-[4-[(2-Amino-4-pyridinyl)oxy]-2-fluorophenyl]-3-[3-tert-butyl-1-(3-chloro-4-fluorophenyl)pyrazol-5-yl]urea
CID 16730954

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol?
The IUPAC name of [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol (CID 143465785) is [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol.
What is the SMILES notation for [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol?
The canonical SMILES for [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol is Nc1cc(Oc2ccc(NC(O)Nc3cc(C4CCCC4)nn3-c3ccc(Cl)cc3)c(F)c2)ccn1.
What is the InChIKey of [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol?
The InChIKey is LAGKDICZMARXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O2/c27-17-5-7-18(8-6-17)34-25(15-23(33-34)16-3-1-2-4-16)32-26(35)31-22-10-9-19(13-21(22)28)36-20-11-12-30-24(29)14-20/h5-16,26,31-32,35H,1-4H2,(H2,29,30).
What are the key properties of [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol?
[4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol has a molecular weight of 508.99 g/mol, XLogP of 5.89, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-4-pyridinyl)oxy]-2-fluoroanilino]-[[1-(4-chlorophenyl)-3-cyclopentylpyrazol-5-yl]amino]methanol is sourced from PubChem (CID 143465785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).