[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone

C24H24FN9O — CID 166628813

IUPAC[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCN(C)c1cnc2ccc(-c3nc(Nc4ccc(C(=O)N5CCNCC5)cn4)ncc3F)cc2n1
InChIInChI=1S/C24H24FN9O/c1-33(2)21-14-27-18-5-3-15(11-19(18)30-21)22-17(25)13-29-24(32-22)31-20-6-4-16(12-28-20)23(35)34-9-7-26-8-10-34/h3-6,11-14,26H,7-10H2,1-2H3,(H,28,29,31,32)
InChIKeyWUPRAHSNJBLKQZ-UHFFFAOYSA-N
MW473.52 g/mol
LogP2.48
Rot. Bonds5

About [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone

[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 166628813) has the molecular formula C24H24FN9O and a molecular weight of 473.52 g/mol. Its IUPAC name is [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID166628813
Molecular FormulaC24H24FN9O
Molecular Weight473.52 g/mol
Exact Mass473.21
IUPAC Name[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCN(C)c1cnc2ccc(-c3nc(Nc4ccc(C(=O)N5CCNCC5)cn4)ncc3F)cc2n1
InChIInChI=1S/C24H24FN9O/c1-33(2)21-14-27-18-5-3-15(11-19(18)30-21)22-17(25)13-29-24(32-22)31-20-6-4-16(12-28-20)23(35)34-9-7-26-8-10-34/h3-6,11-14,26H,7-10H2,1-2H3,(H,28,29,31,32)
InChIKeyWUPRAHSNJBLKQZ-UHFFFAOYSA-N
XLogP2.48
TPSA112.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 52.48
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]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone (CID 166628813) is [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone is CN(C)c1cnc2ccc(-c3nc(Nc4ccc(C(=O)N5CCNCC5)cn4)ncc3F)cc2n1.
What is the InChIKey of [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is WUPRAHSNJBLKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O/c1-33(2)21-14-27-18-5-3-15(11-19(18)30-21)22-17(25)13-29-24(32-22)31-20-6-4-16(12-28-20)23(35)34-9-7-26-8-10-34/h3-6,11-14,26H,7-10H2,1-2H3,(H,28,29,31,32).
What are the key properties of [6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone?
[6-[[4-[3-(dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 473.52 g/mol, XLogP of 2.48, 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]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 166628813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).