4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol

C27H26FN5O3 — CID 151404615

IUPAC4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol
SMILESOC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4-c4cccc(F)c4)ccn3)ccn2)CCOCC1
InChIInChI=1S/C27H26FN5O3/c28-19-3-1-2-18(14-19)26-23(17-33(32-26)21-4-5-21)36-22-7-11-30-25(16-22)31-20-6-10-29-24(15-20)27(34)8-12-35-13-9-27/h1-3,6-7,10-11,14-17,21,34H,4-5,8-9,12-13H2,(H,29,30,31)
InChIKeyOXFOYOHCWSWFGY-UHFFFAOYSA-N
MW487.54 g/mol
LogP5.35
Rot. Bonds7

About 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol

4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol (PubChem CID 151404615) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol
PubChem CID151404615
Molecular FormulaC27H26FN5O3
Molecular Weight487.54 g/mol
Exact Mass487.20
IUPAC Name4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol
SMILESOC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4-c4cccc(F)c4)ccn3)ccn2)CCOCC1
InChIInChI=1S/C27H26FN5O3/c28-19-3-1-2-18(14-19)26-23(17-33(32-26)21-4-5-21)36-22-7-11-30-25(16-22)31-20-6-10-29-24(15-20)27(34)8-12-35-13-9-27/h1-3,6-7,10-11,14-17,21,34H,4-5,8-9,12-13H2,(H,29,30,31)
InChIKeyOXFOYOHCWSWFGY-UHFFFAOYSA-N
XLogP5.35
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol with MolForge

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Related Compounds

Ly-3200882
CID 121249291
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
[1-[3-Fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
CID 71766886
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
US9765058, Example 2-2-10
CID 86580572
2-(4-fluorophenyl)-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 46208889
(2S)-1-[[4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 57856282
2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 67400337
15-Fluoro-3-methyl-11,19-dioxa-3,4,22-triazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2(6),4,12(17),13,15,20,22-octaen-21-amine
CID 71732097
4-[1-Cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile
CID 147109426
4-[1-Cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol
CID 147473320

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol?
The IUPAC name of 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol (CID 151404615) is 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol.
What is the SMILES notation for 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol?
The canonical SMILES for 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol is OC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4-c4cccc(F)c4)ccn3)ccn2)CCOCC1.
What is the InChIKey of 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol?
The InChIKey is OXFOYOHCWSWFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c28-19-3-1-2-18(14-19)26-23(17-33(32-26)21-4-5-21)36-22-7-11-30-25(16-22)31-20-6-10-29-24(15-20)27(34)8-12-35-13-9-27/h1-3,6-7,10-11,14-17,21,34H,4-5,8-9,12-13H2,(H,29,30,31).
What are the key properties of 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol?
4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol has a molecular weight of 487.54 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[1-cyclopropyl-3-(3-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol is sourced from PubChem (CID 151404615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).