5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide

C22H32ClN5O2 — CID 22313273

IUPAC5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CC(=O)C(C)(C)C)CC3)c2n1
InChIInChI=1S/C22H32ClN5O2/c1-5-15-12-28-19(24)17(23)10-16(20(28)26-15)21(30)25-11-14-6-8-27(9-7-14)13-18(29)22(2,3)4/h10,12,14H,5-9,11,13,24H2,1-4H3,(H,25,30)
InChIKeyJDZQQZJVIKWPJJ-UHFFFAOYSA-N
MW433.98 g/mol
LogP3.19
Rot. Bonds6

About 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide

5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 22313273) has the molecular formula C22H32ClN5O2 and a molecular weight of 433.98 g/mol. Its IUPAC name is 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID22313273
Molecular FormulaC22H32ClN5O2
Molecular Weight433.98 g/mol
Exact Mass433.22
IUPAC Name5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CC(=O)C(C)(C)C)CC3)c2n1
InChIInChI=1S/C22H32ClN5O2/c1-5-15-12-28-19(24)17(23)10-16(20(28)26-15)21(30)25-11-14-6-8-27(9-7-14)13-18(29)22(2,3)4/h10,12,14H,5-9,11,13,24H2,1-4H3,(H,25,30)
InChIKeyJDZQQZJVIKWPJJ-UHFFFAOYSA-N
XLogP3.19
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide (CID 22313273) is 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide is CCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CC(=O)C(C)(C)C)CC3)c2n1.
What is the InChIKey of 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is JDZQQZJVIKWPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN5O2/c1-5-15-12-28-19(24)17(23)10-16(20(28)26-15)21(30)25-11-14-6-8-27(9-7-14)13-18(29)22(2,3)4/h10,12,14H,5-9,11,13,24H2,1-4H3,(H,25,30).
What are the key properties of 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide?
5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 433.98 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 22313273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).