6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one

C23H18ClFN8O2 — CID 58936191

IUPAC6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one
SMILESO=C1CCCN(c2cc(-c3cc4c(=O)[nH][nH]c4cc3Cl)nc(Nc3n[nH]c4ccc(F)cc34)n2)C1
InChIInChI=1S/C23H18ClFN8O2/c24-16-8-19-15(22(35)32-30-19)7-13(16)18-9-20(33-5-1-2-12(34)10-33)27-23(26-18)28-21-14-6-11(25)3-4-17(14)29-31-21/h3-4,6-9H,1-2,5,10H2,(H2,30,32,35)(H2,26,27,28,29,31)
InChIKeyFULFBKKFYXVUDW-UHFFFAOYSA-N
MW492.90 g/mol
LogP3.89
Rot. Bonds4

About 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one

6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one (PubChem CID 58936191) has the molecular formula C23H18ClFN8O2 and a molecular weight of 492.90 g/mol. Its IUPAC name is 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one
PubChem CID58936191
Molecular FormulaC23H18ClFN8O2
Molecular Weight492.90 g/mol
Exact Mass492.12
IUPAC Name6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one
SMILESO=C1CCCN(c2cc(-c3cc4c(=O)[nH][nH]c4cc3Cl)nc(Nc3n[nH]c4ccc(F)cc34)n2)C1
InChIInChI=1S/C23H18ClFN8O2/c24-16-8-19-15(22(35)32-30-19)7-13(16)18-9-20(33-5-1-2-12(34)10-33)27-23(26-18)28-21-14-6-11(25)3-4-17(14)29-31-21/h3-4,6-9H,1-2,5,10H2,(H2,30,32,35)(H2,26,27,28,29,31)
InChIKeyFULFBKKFYXVUDW-UHFFFAOYSA-N
XLogP3.89
TPSA135.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.90
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-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 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one (CID 58936191) is 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one is O=C1CCCN(c2cc(-c3cc4c(=O)[nH][nH]c4cc3Cl)nc(Nc3n[nH]c4ccc(F)cc34)n2)C1.
What is the InChIKey of 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one?
The InChIKey is FULFBKKFYXVUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN8O2/c24-16-8-19-15(22(35)32-30-19)7-13(16)18-9-20(33-5-1-2-12(34)10-33)27-23(26-18)28-21-14-6-11(25)3-4-17(14)29-31-21/h3-4,6-9H,1-2,5,10H2,(H2,30,32,35)(H2,26,27,28,29,31).
What are the key properties of 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one?
6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one has a molecular weight of 492.90 g/mol, XLogP of 3.89, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)pyrimidin-4-yl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).