3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol

C24H27N7O3 — CID 146585874

IUPAC3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol
SMILESCOc1nc(N(C)CCCO)ncc1-c1ccc(Oc2ccnc(-c3cn[nH]c3C)c2)c(C)n1
InChIInChI=1S/C24H27N7O3/c1-15-18(14-27-30-15)21-12-17(8-9-25-21)34-22-7-6-20(28-16(22)2)19-13-26-24(29-23(19)33-4)31(3)10-5-11-32/h6-9,12-14,32H,5,10-11H2,1-4H3,(H,27,30)
InChIKeyKZZINWRGTFLIEA-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.56
Rot. Bonds9

About 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol

3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol (PubChem CID 146585874) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol
PubChem CID146585874
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol
SMILESCOc1nc(N(C)CCCO)ncc1-c1ccc(Oc2ccnc(-c3cn[nH]c3C)c2)c(C)n1
InChIInChI=1S/C24H27N7O3/c1-15-18(14-27-30-15)21-12-17(8-9-25-21)34-22-7-6-20(28-16(22)2)19-13-26-24(29-23(19)33-4)31(3)10-5-11-32/h6-9,12-14,32H,5,10-11H2,1-4H3,(H,27,30)
InChIKeyKZZINWRGTFLIEA-UHFFFAOYSA-N
XLogP3.56
TPSA122.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol (CID 146585874) is 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol is COc1nc(N(C)CCCO)ncc1-c1ccc(Oc2ccnc(-c3cn[nH]c3C)c2)c(C)n1.
What is the InChIKey of 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol?
The InChIKey is KZZINWRGTFLIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-15-18(14-27-30-15)21-12-17(8-9-25-21)34-22-7-6-20(28-16(22)2)19-13-26-24(29-23(19)33-4)31(3)10-5-11-32/h6-9,12-14,32H,5,10-11H2,1-4H3,(H,27,30).
What are the key properties of 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol?
3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol has a molecular weight of 461.53 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-5-[6-methyl-5-[[2-(5-methyl-1H-pyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-2-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 146585874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).