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

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

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Launch Full Analysis

Related Compounds

2-[4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155450805
2-[4-[[4-[3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 150140025
2-[4-[[4-[[2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 147251424
2-[3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]phenyl]-2-methylpropanoic acid
CID 162781480
2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine
CID 164715787
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine
CID 68945631
N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine
CID 151726288
2-[5-[(4-methoxy-2-pyridinyl)amino]-2-pyridinyl]propan-2-ol
CID 170372213
1-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4,4-difluorocyclohexan-1-ol
CID 149066952
5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole
CID 170965692
2-[4-[[4-[1-cyclopropyl-3-[2-fluoro-4-(oxan-4-yl)phenyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxetan-3-ol
CID 175483445
N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine
CID 150733617

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).