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

C25H25N5O2 — CID 151595124

IUPAC2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccccc3)ccn2)ccn1
InChIInChI=1S/C25H25N5O2/c1-25(2,31)22-14-18(10-12-26-22)28-23-15-20(11-13-27-23)32-21-16-30(19-8-9-19)29-24(21)17-6-4-3-5-7-17/h3-7,10-16,19,31H,8-9H2,1-2H3,(H,26,27,28)
InChIKeyQJHVUWWRZDHUHH-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.44
Rot. Bonds7

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

2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 151595124) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID151595124
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccccc3)ccn2)ccn1
InChIInChI=1S/C25H25N5O2/c1-25(2,31)22-14-18(10-12-26-22)28-23-15-20(11-13-27-23)32-21-16-30(19-8-9-19)29-24(21)17-6-4-3-5-7-17/h3-7,10-16,19,31H,8-9H2,1-2H3,(H,26,27,28)
InChIKeyQJHVUWWRZDHUHH-UHFFFAOYSA-N
XLogP5.44
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 151595124) is 2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccccc3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is QJHVUWWRZDHUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-25(2,31)22-14-18(10-12-26-22)28-23-15-20(11-13-27-23)32-21-16-30(19-8-9-19)29-24(21)17-6-4-3-5-7-17/h3-7,10-16,19,31H,8-9H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 427.51 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 151595124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).