6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide

C21H25FN6O2 — CID 90468962

IUPAC6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(N2CCNC(C)(C)C2)ccc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C21H25FN6O2/c1-13-10-28-11-14(9-16(22)18(28)24-13)25-19(29)15-5-6-17(26-20(15)30-4)27-8-7-23-21(2,3)12-27/h5-6,9-11,23H,7-8,12H2,1-4H3,(H,25,29)
InChIKeyBMNBZFVCCZJSMM-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.63
Rot. Bonds4

About 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide

6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 90468962) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide
PubChem CID90468962
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(N2CCNC(C)(C)C2)ccc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C21H25FN6O2/c1-13-10-28-11-14(9-16(22)18(28)24-13)25-19(29)15-5-6-17(26-20(15)30-4)27-8-7-23-21(2,3)12-27/h5-6,9-11,23H,7-8,12H2,1-4H3,(H,25,29)
InChIKeyBMNBZFVCCZJSMM-UHFFFAOYSA-N
XLogP2.63
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide (CID 90468962) is 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide is COc1nc(N2CCNC(C)(C)C2)ccc1C(=O)Nc1cc(F)c2nc(C)cn2c1.
What is the InChIKey of 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is BMNBZFVCCZJSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-13-10-28-11-14(9-16(22)18(28)24-13)25-19(29)15-5-6-17(26-20(15)30-4)27-8-7-23-21(2,3)12-27/h5-6,9-11,23H,7-8,12H2,1-4H3,(H,25,29).
What are the key properties of 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide?
6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpiperazin-1-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 90468962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).