5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one

C25H27N5O2 — CID 170433279

IUPAC5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one
SMILESCC1CNCCN1c1cccc2c(-c3ccc(=O)[nH]c3OCc3ccccc3)nn(C)c12
InChIInChI=1S/C25H27N5O2/c1-17-15-26-13-14-30(17)21-10-6-9-19-23(28-29(2)24(19)21)20-11-12-22(31)27-25(20)32-16-18-7-4-3-5-8-18/h3-12,17,26H,13-16H2,1-2H3,(H,27,31)
InChIKeyUCIVGTUCNKPLEK-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.31
Rot. Bonds5

About 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one

5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one (PubChem CID 170433279) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one
PubChem CID170433279
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one
SMILESCC1CNCCN1c1cccc2c(-c3ccc(=O)[nH]c3OCc3ccccc3)nn(C)c12
InChIInChI=1S/C25H27N5O2/c1-17-15-26-13-14-30(17)21-10-6-9-19-23(28-29(2)24(19)21)20-11-12-22(31)27-25(20)32-16-18-7-4-3-5-8-18/h3-12,17,26H,13-16H2,1-2H3,(H,27,31)
InChIKeyUCIVGTUCNKPLEK-UHFFFAOYSA-N
XLogP3.31
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one?
The IUPAC name of 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one (CID 170433279) is 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one?
The canonical SMILES for 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one is CC1CNCCN1c1cccc2c(-c3ccc(=O)[nH]c3OCc3ccccc3)nn(C)c12.
What is the InChIKey of 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one?
The InChIKey is UCIVGTUCNKPLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-17-15-26-13-14-30(17)21-10-6-9-19-23(28-29(2)24(19)21)20-11-12-22(31)27-25(20)32-16-18-7-4-3-5-8-18/h3-12,17,26H,13-16H2,1-2H3,(H,27,31).
What are the key properties of 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one?
5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one has a molecular weight of 429.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]-6-phenylmethoxy-1H-pyridin-2-one is sourced from PubChem (CID 170433279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).