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

C23H25N7O2 — CID 162664593

IUPAC2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCn1cc(-c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)cn1
InChIInChI=1S/C23H25N7O2/c1-23(2,31)20-10-16(6-8-24-20)27-21-11-18(7-9-25-21)32-19-14-30(17-4-5-17)28-22(19)15-12-26-29(3)13-15/h6-14,17,31H,4-5H2,1-3H3,(H,24,25,27)
InChIKeyABPFUKPFLLVSJT-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.17
Rot. Bonds7

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

2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 162664593) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID162664593
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCn1cc(-c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)cn1
InChIInChI=1S/C23H25N7O2/c1-23(2,31)20-10-16(6-8-24-20)27-21-11-18(7-9-25-21)32-19-14-30(17-4-5-17)28-22(19)15-12-26-29(3)13-15/h6-14,17,31H,4-5H2,1-3H3,(H,24,25,27)
InChIKeyABPFUKPFLLVSJT-UHFFFAOYSA-N
XLogP4.17
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 162664593) is 2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is Cn1cc(-c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)cn1.
What is the InChIKey of 2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is ABPFUKPFLLVSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-23(2,31)20-10-16(6-8-24-20)27-21-11-18(7-9-25-21)32-19-14-30(17-4-5-17)28-22(19)15-12-26-29(3)13-15/h6-14,17,31H,4-5H2,1-3H3,(H,24,25,27).
What are the key properties of 2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 431.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 162664593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).