1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol

C20H20ClN7O — CID 139344797

IUPAC1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol
SMILESCc1[nH]ncc1C1CC(O)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C20H20ClN7O/c1-12-16(7-24-26-12)13-6-15(29)11-27(9-13)19-4-5-22-20(25-19)17-8-23-18-3-2-14(21)10-28(17)18/h2-5,7-8,10,13,15,29H,6,9,11H2,1H3,(H,24,26)
InChIKeyHRFJTULELWZWIR-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.83
Rot. Bonds3

About 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol

1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol (PubChem CID 139344797) has the molecular formula C20H20ClN7O and a molecular weight of 409.88 g/mol. Its IUPAC name is 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol
PubChem CID139344797
Molecular FormulaC20H20ClN7O
Molecular Weight409.88 g/mol
Exact Mass409.14
IUPAC Name1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol
SMILESCc1[nH]ncc1C1CC(O)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C20H20ClN7O/c1-12-16(7-24-26-12)13-6-15(29)11-27(9-13)19-4-5-22-20(25-19)17-8-23-18-3-2-14(21)10-28(17)18/h2-5,7-8,10,13,15,29H,6,9,11H2,1H3,(H,24,26)
InChIKeyHRFJTULELWZWIR-UHFFFAOYSA-N
XLogP2.83
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-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-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol (CID 139344797) is 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol is Cc1[nH]ncc1C1CC(O)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1.
What is the InChIKey of 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol?
The InChIKey is HRFJTULELWZWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O/c1-12-16(7-24-26-12)13-6-15(29)11-27(9-13)19-4-5-22-20(25-19)17-8-23-18-3-2-14(21)10-28(17)18/h2-5,7-8,10,13,15,29H,6,9,11H2,1H3,(H,24,26).
What are the key properties of 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol?
1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol has a molecular weight of 409.88 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 139344797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).