N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide

C20H23FN6O2 — CID 90468959

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCOc1nc(N2CCNC(C)C2)ccc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C20H23FN6O2/c1-12-9-26(7-6-22-12)17-5-4-15(20(25-17)29-3)19(28)24-14-8-16(21)18-23-13(2)10-27(18)11-14/h4-5,8,10-12,22H,6-7,9H2,1-3H3,(H,24,28)
InChIKeyDCECLWBGAPZBRC-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.24
Rot. Bonds4

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 90468959) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID90468959
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCOc1nc(N2CCNC(C)C2)ccc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C20H23FN6O2/c1-12-9-26(7-6-22-12)17-5-4-15(20(25-17)29-3)19(28)24-14-8-16(21)18-23-13(2)10-27(18)11-14/h4-5,8,10-12,22H,6-7,9H2,1-3H3,(H,24,28)
InChIKeyDCECLWBGAPZBRC-UHFFFAOYSA-N
XLogP2.24
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 90468959) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide is COc1nc(N2CCNC(C)C2)ccc1C(=O)Nc1cc(F)c2nc(C)cn2c1.
What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is DCECLWBGAPZBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-12-9-26(7-6-22-12)17-5-4-15(20(25-17)29-3)19(28)24-14-8-16(21)18-23-13(2)10-27(18)11-14/h4-5,8,10-12,22H,6-7,9H2,1-3H3,(H,24,28).
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 90468959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).