1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol

C26H33N9O — CID 142395521

IUPAC1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCCn1cc(-c2ccnc(Nc3cnn(C4CCN(CC(C)(C)O)CC4)c3)n2)c(-c2cccnc2)n1
InChIInChI=1S/C26H33N9O/c1-4-34-17-22(24(32-34)19-6-5-10-27-14-19)23-7-11-28-25(31-23)30-20-15-29-35(16-20)21-8-12-33(13-9-21)18-26(2,3)36/h5-7,10-11,14-17,21,36H,4,8-9,12-13,18H2,1-3H3,(H,28,30,31)
InChIKeyYSNBDRSAUGKJEQ-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.77
Rot. Bonds8

About 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol

1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 142395521) has the molecular formula C26H33N9O and a molecular weight of 487.61 g/mol. Its IUPAC name is 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID142395521
Molecular FormulaC26H33N9O
Molecular Weight487.61 g/mol
Exact Mass487.28
IUPAC Name1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCCn1cc(-c2ccnc(Nc3cnn(C4CCN(CC(C)(C)O)CC4)c3)n2)c(-c2cccnc2)n1
InChIInChI=1S/C26H33N9O/c1-4-34-17-22(24(32-34)19-6-5-10-27-14-19)23-7-11-28-25(31-23)30-20-15-29-35(16-20)21-8-12-33(13-9-21)18-26(2,3)36/h5-7,10-11,14-17,21,36H,4,8-9,12-13,18H2,1-3H3,(H,28,30,31)
InChIKeyYSNBDRSAUGKJEQ-UHFFFAOYSA-N
XLogP3.77
TPSA109.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-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 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol (CID 142395521) is 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol is CCn1cc(-c2ccnc(Nc3cnn(C4CCN(CC(C)(C)O)CC4)c3)n2)c(-c2cccnc2)n1.
What is the InChIKey of 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is YSNBDRSAUGKJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O/c1-4-34-17-22(24(32-34)19-6-5-10-27-14-19)23-7-11-28-25(31-23)30-20-15-29-35(16-20)21-8-12-33(13-9-21)18-26(2,3)36/h5-7,10-11,14-17,21,36H,4,8-9,12-13,18H2,1-3H3,(H,28,30,31).
What are the key properties of 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol?
1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 487.61 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 142395521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).