2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C20H21F2N5O2 — CID 121249523

IUPAC2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Nc2cc(Oc3cn(C(F)F)nc3C3CC3)ccn2)cn1
InChIInChI=1S/C20H21F2N5O2/c1-20(2,28)16-6-5-13(10-24-16)25-17-9-14(7-8-23-17)29-15-11-27(19(21)22)26-18(15)12-3-4-12/h5-12,19,28H,3-4H2,1-2H3,(H,23,25)
InChIKeySOXJLHPJBZHIBW-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.71
Rot. Bonds7

About 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 121249523) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID121249523
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Nc2cc(Oc3cn(C(F)F)nc3C3CC3)ccn2)cn1
InChIInChI=1S/C20H21F2N5O2/c1-20(2,28)16-6-5-13(10-24-16)25-17-9-14(7-8-23-17)29-15-11-27(19(21)22)26-18(15)12-3-4-12/h5-12,19,28H,3-4H2,1-2H3,(H,23,25)
InChIKeySOXJLHPJBZHIBW-UHFFFAOYSA-N
XLogP4.71
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 121249523) is 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(Nc2cc(Oc3cn(C(F)F)nc3C3CC3)ccn2)cn1.
What is the InChIKey of 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is SOXJLHPJBZHIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c1-20(2,28)16-6-5-13(10-24-16)25-17-9-14(7-8-23-17)29-15-11-27(19(21)22)26-18(15)12-3-4-12/h5-12,19,28H,3-4H2,1-2H3,(H,23,25).
What are the key properties of 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 401.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[3-cyclopropyl-1-(difluoromethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 121249523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).