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

C24H27N5O3 — CID 151097389

IUPAC2-[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
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3C4COCC43)ccn2)ccn1
InChIInChI=1S/C24H27N5O3/c1-24(2,30)20-9-14(5-7-25-20)27-21-10-16(6-8-26-21)32-19-11-29(15-3-4-15)28-23(19)22-17-12-31-13-18(17)22/h5-11,15,17-18,22,30H,3-4,12-13H2,1-2H3,(H,25,26,27)
InChIKeyMNKBANQBRGIZQB-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.13
Rot. Bonds7

About 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

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 (PubChem CID 151097389) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID151097389
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[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
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3C4COCC43)ccn2)ccn1
InChIInChI=1S/C24H27N5O3/c1-24(2,30)20-9-14(5-7-25-20)27-21-10-16(6-8-26-21)32-19-11-29(15-3-4-15)28-23(19)22-17-12-31-13-18(17)22/h5-11,15,17-18,22,30H,3-4,12-13H2,1-2H3,(H,25,26,27)
InChIKeyMNKBANQBRGIZQB-UHFFFAOYSA-N
XLogP4.13
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3C4COCC43)ccn2)ccn1.
What is the InChIKey of 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?
The InChIKey is MNKBANQBRGIZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-24(2,30)20-9-14(5-7-25-20)27-21-10-16(6-8-26-21)32-19-11-29(15-3-4-15)28-23(19)22-17-12-31-13-18(17)22/h5-11,15,17-18,22,30H,3-4,12-13H2,1-2H3,(H,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 433.51 g/mol, XLogP of 4.13, 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-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 151097389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).