4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine

C23H31ClN6O3S — CID 137348872

IUPAC4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine
SMILESCN1CCN(CCOc2cc3ncc(-c4cc(N)nc(Cl)c4)n3cc2S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C23H31ClN6O3S/c1-23(2,3)34(31,32)19-15-30-17(16-11-20(24)27-21(25)12-16)14-26-22(30)13-18(19)33-10-9-29-7-5-28(4)6-8-29/h11-15H,5-10H2,1-4H3,(H2,25,27)
InChIKeyPIIVPMZRLRQOTG-UHFFFAOYSA-N
MW507.06 g/mol
LogP2.83
Rot. Bonds6

About 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine

4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine (PubChem CID 137348872) has the molecular formula C23H31ClN6O3S and a molecular weight of 507.06 g/mol. Its IUPAC name is 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine.

Molecular Properties

Compound Name4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine
PubChem CID137348872
Molecular FormulaC23H31ClN6O3S
Molecular Weight507.06 g/mol
Exact Mass506.19
IUPAC Name4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine
SMILESCN1CCN(CCOc2cc3ncc(-c4cc(N)nc(Cl)c4)n3cc2S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C23H31ClN6O3S/c1-23(2,3)34(31,32)19-15-30-17(16-11-20(24)27-21(25)12-16)14-26-22(30)13-18(19)33-10-9-29-7-5-28(4)6-8-29/h11-15H,5-10H2,1-4H3,(H2,25,27)
InChIKeyPIIVPMZRLRQOTG-UHFFFAOYSA-N
XLogP2.83
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.06
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine?
The IUPAC name of 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine (CID 137348872) is 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine.
What is the SMILES notation for 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine?
The canonical SMILES for 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine is CN1CCN(CCOc2cc3ncc(-c4cc(N)nc(Cl)c4)n3cc2S(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine?
The InChIKey is PIIVPMZRLRQOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN6O3S/c1-23(2,3)34(31,32)19-15-30-17(16-11-20(24)27-21(25)12-16)14-26-22(30)13-18(19)33-10-9-29-7-5-28(4)6-8-29/h11-15H,5-10H2,1-4H3,(H2,25,27).
What are the key properties of 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine?
4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine has a molecular weight of 507.06 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine is sourced from PubChem (CID 137348872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).