2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C22H27N5O3 — CID 155450803

IUPAC2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1cc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)n(C2CCOCC2)n1
InChIInChI=1S/C22H27N5O3/c1-15-12-21(27(26-15)17-6-10-29-11-7-17)30-18-5-9-24-20(14-18)25-16-4-8-23-19(13-16)22(2,3)28/h4-5,8-9,12-14,17,28H,6-7,10-11H2,1-3H3,(H,23,24,25)
InChIKeyNNVROTYOIWEUNA-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.10
Rot. Bonds6

About 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450803) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450803
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1cc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)n(C2CCOCC2)n1
InChIInChI=1S/C22H27N5O3/c1-15-12-21(27(26-15)17-6-10-29-11-7-17)30-18-5-9-24-20(14-18)25-16-4-8-23-19(13-16)22(2,3)28/h4-5,8-9,12-14,17,28H,6-7,10-11H2,1-3H3,(H,23,24,25)
InChIKeyNNVROTYOIWEUNA-UHFFFAOYSA-N
XLogP4.10
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450803) is 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is Cc1cc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)n(C2CCOCC2)n1.
What is the InChIKey of 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is NNVROTYOIWEUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-12-21(27(26-15)17-6-10-29-11-7-17)30-18-5-9-24-20(14-18)25-16-4-8-23-19(13-16)22(2,3)28/h4-5,8-9,12-14,17,28H,6-7,10-11H2,1-3H3,(H,23,24,25).
What are the key properties of 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 409.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).