6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide

C21H21ClF2N4O2 — CID 129278768

IUPAC6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC1CCCCN1
InChIInChI=1S/C21H21ClF2N4O2/c1-12-19(21(29)27-18-7-2-3-8-25-18)28-10-13(22)9-17(20(28)26-12)30-11-14-15(23)5-4-6-16(14)24/h4-6,9-10,18,25H,2-3,7-8,11H2,1H3,(H,27,29)
InChIKeyDODMKWWIIISMCN-UHFFFAOYSA-N
MW434.87 g/mol
LogP3.98
Rot. Bonds5

About 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 129278768) has the molecular formula C21H21ClF2N4O2 and a molecular weight of 434.87 g/mol. Its IUPAC name is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID129278768
Molecular FormulaC21H21ClF2N4O2
Molecular Weight434.87 g/mol
Exact Mass434.13
IUPAC Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC1CCCCN1
InChIInChI=1S/C21H21ClF2N4O2/c1-12-19(21(29)27-18-7-2-3-8-25-18)28-10-13(22)9-17(20(28)26-12)30-11-14-15(23)5-4-6-16(14)24/h4-6,9-10,18,25H,2-3,7-8,11H2,1H3,(H,27,29)
InChIKeyDODMKWWIIISMCN-UHFFFAOYSA-N
XLogP3.98
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 129278768) is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC1CCCCN1.
What is the InChIKey of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DODMKWWIIISMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N4O2/c1-12-19(21(29)27-18-7-2-3-8-25-18)28-10-13(22)9-17(20(28)26-12)30-11-14-15(23)5-4-6-16(14)24/h4-6,9-10,18,25H,2-3,7-8,11H2,1H3,(H,27,29).
What are the key properties of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 434.87 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-piperidin-2-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 129278768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).