1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one

C17H19N5O2 — CID 59743385

IUPAC1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one
SMILESO=c1[nH]n(-c2ccnc(NC3CCC(O)CC3)n2)c2ccccc12
InChIInChI=1S/C17H19N5O2/c23-12-7-5-11(6-8-12)19-17-18-10-9-15(20-17)22-14-4-2-1-3-13(14)16(24)21-22/h1-4,9-12,23H,5-8H2,(H,21,24)(H,18,19,20)
InChIKeyZHQZGWACURLZSC-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.82
Rot. Bonds3

About 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one

1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one (PubChem CID 59743385) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one.

Molecular Properties

Compound Name1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one
PubChem CID59743385
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one
SMILESO=c1[nH]n(-c2ccnc(NC3CCC(O)CC3)n2)c2ccccc12
InChIInChI=1S/C17H19N5O2/c23-12-7-5-11(6-8-12)19-17-18-10-9-15(20-17)22-14-4-2-1-3-13(14)16(24)21-22/h1-4,9-12,23H,5-8H2,(H,21,24)(H,18,19,20)
InChIKeyZHQZGWACURLZSC-UHFFFAOYSA-N
XLogP1.82
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one 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-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one?
The IUPAC name of 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one (CID 59743385) is 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one.
What is the SMILES notation for 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one?
The canonical SMILES for 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one is O=c1[nH]n(-c2ccnc(NC3CCC(O)CC3)n2)c2ccccc12.
What is the InChIKey of 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one?
The InChIKey is ZHQZGWACURLZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-12-7-5-11(6-8-12)19-17-18-10-9-15(20-17)22-14-4-2-1-3-13(14)16(24)21-22/h1-4,9-12,23H,5-8H2,(H,21,24)(H,18,19,20).
What are the key properties of 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one?
1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one has a molecular weight of 325.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2H-indazol-3-one is sourced from PubChem (CID 59743385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).