1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol

C22H20F5N5O2 — CID 162618104

IUPAC1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol
SMILESOC(c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(F)(F)C3)ccn2)ccn1)C(F)(F)F
InChIInChI=1S/C22H20F5N5O2/c23-21(24)9-12(10-21)19-17(11-32(31-19)14-1-2-14)34-15-4-6-29-18(8-15)30-13-3-5-28-16(7-13)20(33)22(25,26)27/h3-8,11-12,14,20,33H,1-2,9-10H2,(H,28,29,30)
InChIKeyZKDHGARURWAONW-UHFFFAOYSA-N
MW481.43 g/mol
LogP5.65
Rot. Bonds7

About 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol

1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol (PubChem CID 162618104) has the molecular formula C22H20F5N5O2 and a molecular weight of 481.43 g/mol. Its IUPAC name is 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol
PubChem CID162618104
Molecular FormulaC22H20F5N5O2
Molecular Weight481.43 g/mol
Exact Mass481.15
IUPAC Name1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol
SMILESOC(c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(F)(F)C3)ccn2)ccn1)C(F)(F)F
InChIInChI=1S/C22H20F5N5O2/c23-21(24)9-12(10-21)19-17(11-32(31-19)14-1-2-14)34-15-4-6-29-18(8-15)30-13-3-5-28-16(7-13)20(33)22(25,26)27/h3-8,11-12,14,20,33H,1-2,9-10H2,(H,28,29,30)
InChIKeyZKDHGARURWAONW-UHFFFAOYSA-N
XLogP5.65
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol with MolForge

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Launch Full Analysis

Related Compounds

Ly-3200882
CID 121249291
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
(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
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
1-[4-[[4-[1-Cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4,4-difluorocyclohexan-1-ol
CID 149066952
2-[4-[[4-[1-Cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]propan-2-ol
CID 150486404
2-[4-[[4-[1-Cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 151097389
N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine
CID 151113105
2-[4-[[4-(1-Cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 151595124
1-[4-[[4-[1-Cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-3-(trifluoromethyl)azetidin-3-ol
CID 152140582

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol (CID 162618104) is 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol is OC(c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CC(F)(F)C3)ccn2)ccn1)C(F)(F)F.
What is the InChIKey of 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol?
The InChIKey is ZKDHGARURWAONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N5O2/c23-21(24)9-12(10-21)19-17(11-32(31-19)14-1-2-14)34-15-4-6-29-18(8-15)30-13-3-5-28-16(7-13)20(33)22(25,26)27/h3-8,11-12,14,20,33H,1-2,9-10H2,(H,28,29,30).
What are the key properties of 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol?
1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol has a molecular weight of 481.43 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 162618104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).