3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol

C24H23N7O2 — CID 24751023

IUPAC3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol
SMILESCc1ncoc1-c1cccc(Nc2nccc(N(CCCO)c3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C24H23N7O2/c1-16-23(33-15-26-16)17-5-2-6-18(13-17)28-24-25-10-9-22(29-24)31(11-4-12-32)21-8-3-7-20-19(21)14-27-30-20/h2-3,5-10,13-15,32H,4,11-12H2,1H3,(H,27,30)(H,25,28,29)
InChIKeyONJMWLWJHWIOQJ-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.58
Rot. Bonds8

About 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol

3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 24751023) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID24751023
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol
SMILESCc1ncoc1-c1cccc(Nc2nccc(N(CCCO)c3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C24H23N7O2/c1-16-23(33-15-26-16)17-5-2-6-18(13-17)28-24-25-10-9-22(29-24)31(11-4-12-32)21-8-3-7-20-19(21)14-27-30-20/h2-3,5-10,13-15,32H,4,11-12H2,1H3,(H,27,30)(H,25,28,29)
InChIKeyONJMWLWJHWIOQJ-UHFFFAOYSA-N
XLogP4.58
TPSA115.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol (CID 24751023) is 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol is Cc1ncoc1-c1cccc(Nc2nccc(N(CCCO)c3cccc4[nH]ncc34)n2)c1.
What is the InChIKey of 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is ONJMWLWJHWIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-16-23(33-15-26-16)17-5-2-6-18(13-17)28-24-25-10-9-22(29-24)31(11-4-12-32)21-8-3-7-20-19(21)14-27-30-20/h2-3,5-10,13-15,32H,4,11-12H2,1H3,(H,27,30)(H,25,28,29).
What are the key properties of 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol?
3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 441.50 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indazol-4-yl-[2-[3-(4-methyl-1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 24751023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).