3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine

C21H23FN10O — CID 66790335

IUPAC3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine
SMILESCOc1ncc(Nc2nc3ccc(N4CCNCC4)cn3c2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C21H23FN10O/c1-12-26-18(30-21(23)27-12)17-19(28-13-9-15(22)20(33-2)25-10-13)29-16-4-3-14(11-32(16)17)31-7-5-24-6-8-31/h3-4,9-11,24,28H,5-8H2,1-2H3,(H2,23,26,27,30)
InChIKeyQRUFDISOBAPRHT-UHFFFAOYSA-N
MW450.48 g/mol
LogP1.77
Rot. Bonds5

About 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine (PubChem CID 66790335) has the molecular formula C21H23FN10O and a molecular weight of 450.48 g/mol. Its IUPAC name is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine
PubChem CID66790335
Molecular FormulaC21H23FN10O
Molecular Weight450.48 g/mol
Exact Mass450.20
IUPAC Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine
SMILESCOc1ncc(Nc2nc3ccc(N4CCNCC4)cn3c2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C21H23FN10O/c1-12-26-18(30-21(23)27-12)17-19(28-13-9-15(22)20(33-2)25-10-13)29-16-4-3-14(11-32(16)17)31-7-5-24-6-8-31/h3-4,9-11,24,28H,5-8H2,1-2H3,(H2,23,26,27,30)
InChIKeyQRUFDISOBAPRHT-UHFFFAOYSA-N
XLogP1.77
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine (CID 66790335) is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine is COc1ncc(Nc2nc3ccc(N4CCNCC4)cn3c2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine?
The InChIKey is QRUFDISOBAPRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN10O/c1-12-26-18(30-21(23)27-12)17-19(28-13-9-15(22)20(33-2)25-10-13)29-16-4-3-14(11-32(16)17)31-7-5-24-6-8-31/h3-4,9-11,24,28H,5-8H2,1-2H3,(H2,23,26,27,30).
What are the key properties of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine?
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine has a molecular weight of 450.48 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-piperazin-1-ylimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 66790335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).