2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol

C24H29N7O — CID 121357839

IUPAC2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol
SMILESCn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCC(C)(C)O)n3)c2)cn1
InChIInChI=1S/C24H29N7O/c1-24(2,32)10-6-11-25-23-20(21-9-12-30(3)29-21)15-26-22(28-23)18-8-5-7-17(13-18)19-14-27-31(4)16-19/h5,7-9,12-16,32H,6,10-11H2,1-4H3,(H,25,26,28)
InChIKeyGCYKZGYYQMTSQA-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.91
Rot. Bonds8

About 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol

2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 121357839) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID121357839
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol
SMILESCn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCC(C)(C)O)n3)c2)cn1
InChIInChI=1S/C24H29N7O/c1-24(2,32)10-6-11-25-23-20(21-9-12-30(3)29-21)15-26-22(28-23)18-8-5-7-17(13-18)19-14-27-31(4)16-19/h5,7-9,12-16,32H,6,10-11H2,1-4H3,(H,25,26,28)
InChIKeyGCYKZGYYQMTSQA-UHFFFAOYSA-N
XLogP3.91
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-{2-[(3,5-Dimethylphenyl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 102515520
4,6-dimethyl-1-(3-methylbenzyl)-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridine
CID 1477617
N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665425
7-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136044100
3-(1-methyl-1H-pyrazol-4-yl)-6-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224163
3-(1-methyl-1H-pyrazol-4-yl)-N-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24815996
N-(2,6-dimethylbenzyl)-2,3-dimethyl-6-(1H-pyrazol-1-yl)imidazo[1,2-a]pyridin-8-amine
CID 24890346
Cyclohexanol, 4-[[4-[5-(dimethylamino)-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-, trans-
CID 46884199
N-benzyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53319377
1-Methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 66598186
N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 142607846
N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-8-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 142607851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol (CID 121357839) is 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol is Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCC(C)(C)O)n3)c2)cn1.
What is the InChIKey of 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is GCYKZGYYQMTSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-24(2,32)10-6-11-25-23-20(21-9-12-30(3)29-21)15-26-22(28-23)18-8-5-7-17(13-18)19-14-27-31(4)16-19/h5,7-9,12-16,32H,6,10-11H2,1-4H3,(H,25,26,28).
What are the key properties of 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol?
2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 431.54 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 121357839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).