2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C24H24N6O2 — CID 162643910

IUPAC2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccncc3)ccn2)ccn1
InChIInChI=1S/C24H24N6O2/c1-24(2,31)21-13-17(7-11-26-21)28-22-14-19(8-12-27-22)32-20-15-30(18-3-4-18)29-23(20)16-5-9-25-10-6-16/h5-15,18,31H,3-4H2,1-2H3,(H,26,27,28)
InChIKeyKHEIUPOYODWFKT-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.83
Rot. Bonds7

About 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 162643910) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID162643910
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccncc3)ccn2)ccn1
InChIInChI=1S/C24H24N6O2/c1-24(2,31)21-13-17(7-11-26-21)28-22-14-19(8-12-27-22)32-20-15-30(18-3-4-18)29-23(20)16-5-9-25-10-6-16/h5-15,18,31H,3-4H2,1-2H3,(H,26,27,28)
InChIKeyKHEIUPOYODWFKT-UHFFFAOYSA-N
XLogP4.83
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 162643910) is 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccncc3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is KHEIUPOYODWFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-24(2,31)21-13-17(7-11-26-21)28-22-14-19(8-12-27-22)32-20-15-30(18-3-4-18)29-23(20)16-5-9-25-10-6-16/h5-15,18,31H,3-4H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 428.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1-cyclopropyl-3-pyridin-4-ylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 162643910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).