[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone

C24H25N9O — CID 166630722

IUPAC[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCN(C)c1cnc2ccc(-c3ccnc(Nc4ccc(C(=O)N5CCNCC5)cn4)n3)cc2n1
InChIInChI=1S/C24H25N9O/c1-32(2)22-15-27-19-5-3-16(13-20(19)29-22)18-7-8-26-24(30-18)31-21-6-4-17(14-28-21)23(34)33-11-9-25-10-12-33/h3-8,13-15,25H,9-12H2,1-2H3,(H,26,28,30,31)
InChIKeyBFNRBHKUHZSYGJ-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.34
Rot. Bonds5

About [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone

[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 166630722) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID166630722
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCN(C)c1cnc2ccc(-c3ccnc(Nc4ccc(C(=O)N5CCNCC5)cn4)n3)cc2n1
InChIInChI=1S/C24H25N9O/c1-32(2)22-15-27-19-5-3-16(13-20(19)29-22)18-7-8-26-24(30-18)31-21-6-4-17(14-28-21)23(34)33-11-9-25-10-12-33/h3-8,13-15,25H,9-12H2,1-2H3,(H,26,28,30,31)
InChIKeyBFNRBHKUHZSYGJ-UHFFFAOYSA-N
XLogP2.34
TPSA112.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone (CID 166630722) is [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone is CN(C)c1cnc2ccc(-c3ccnc(Nc4ccc(C(=O)N5CCNCC5)cn4)n3)cc2n1.
What is the InChIKey of [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is BFNRBHKUHZSYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-32(2)22-15-27-19-5-3-16(13-20(19)29-22)18-7-8-26-24(30-18)31-21-6-4-17(14-28-21)23(34)33-11-9-25-10-12-33/h3-8,13-15,25H,9-12H2,1-2H3,(H,26,28,30,31).
What are the key properties of [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone?
[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 455.53 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 166630722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).