4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one

C20H23N7O — CID 166223108

IUPAC4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(N3CCC(n4ncc5ccccc54)C3)ncn2)CC1=O
InChIInChI=1S/C20H23N7O/c1-24-8-9-26(13-20(24)28)19-10-18(21-14-22-19)25-7-6-16(12-25)27-17-5-3-2-4-15(17)11-23-27/h2-5,10-11,14,16H,6-9,12-13H2,1H3
InChIKeyGCRZUJMBUVPSIF-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.56
Rot. Bonds3

About 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 166223108) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID166223108
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(N3CCC(n4ncc5ccccc54)C3)ncn2)CC1=O
InChIInChI=1S/C20H23N7O/c1-24-8-9-26(13-20(24)28)19-10-18(21-14-22-19)25-7-6-16(12-25)27-17-5-3-2-4-15(17)11-23-27/h2-5,10-11,14,16H,6-9,12-13H2,1H3
InChIKeyGCRZUJMBUVPSIF-UHFFFAOYSA-N
XLogP1.56
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 166223108) is 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one is CN1CCN(c2cc(N3CCC(n4ncc5ccccc54)C3)ncn2)CC1=O.
What is the InChIKey of 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is GCRZUJMBUVPSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-24-8-9-26(13-20(24)28)19-10-18(21-14-22-19)25-7-6-16(12-25)27-17-5-3-2-4-15(17)11-23-27/h2-5,10-11,14,16H,6-9,12-13H2,1H3.
What are the key properties of 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 377.45 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-indazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 166223108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).