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

C24H29FN10O — CID 66788911

IUPAC3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCOc1ncc(Nc2nc3ccc(N4CCN(C(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C24H29FN10O/c1-14(2)33-7-9-34(10-8-33)17-5-6-19-31-22(30-16-11-18(25)23(36-4)27-12-16)20(35(19)13-17)21-28-15(3)29-24(26)32-21/h5-6,11-14,30H,7-10H2,1-4H3,(H2,26,28,29,32)
InChIKeyOWFAMDTUROKDJB-UHFFFAOYSA-N
MW492.56 g/mol
LogP2.89
Rot. Bonds6

About 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-(4-propan-2-ylpiperazin-1-yl)imidazo[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-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 66788911) has the molecular formula C24H29FN10O and a molecular weight of 492.56 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-(4-propan-2-ylpiperazin-1-yl)imidazo[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-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-amine
PubChem CID66788911
Molecular FormulaC24H29FN10O
Molecular Weight492.56 g/mol
Exact Mass492.25
IUPAC Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-amine
SMILESCOc1ncc(Nc2nc3ccc(N4CCN(C(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C24H29FN10O/c1-14(2)33-7-9-34(10-8-33)17-5-6-19-31-22(30-16-11-18(25)23(36-4)27-12-16)20(35(19)13-17)21-28-15(3)29-24(26)32-21/h5-6,11-14,30H,7-10H2,1-4H3,(H2,26,28,29,32)
InChIKeyOWFAMDTUROKDJB-UHFFFAOYSA-N
XLogP2.89
TPSA122.62 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.56
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-(4-propan-2-ylpiperazin-1-yl)imidazo[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-(4-propan-2-ylpiperazin-1-yl)imidazo[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-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-amine (CID 66788911) is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-(4-propan-2-ylpiperazin-1-yl)imidazo[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-(4-propan-2-ylpiperazin-1-yl)imidazo[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-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-amine is COc1ncc(Nc2nc3ccc(N4CCN(C(C)C)CC4)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-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is OWFAMDTUROKDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN10O/c1-14(2)33-7-9-34(10-8-33)17-5-6-19-31-22(30-16-11-18(25)23(36-4)27-12-16)20(35(19)13-17)21-28-15(3)29-24(26)32-21/h5-6,11-14,30H,7-10H2,1-4H3,(H2,26,28,29,32).
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-(4-propan-2-ylpiperazin-1-yl)imidazo[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-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 492.56 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 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-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 66788911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).