5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide

C23H33ClN6O3 — CID 10096559

IUPAC5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CCC(=O)N4CCOCC4)CC3)c2n1
InChIInChI=1S/C23H33ClN6O3/c1-2-17-15-30-21(25)19(24)13-18(22(30)27-17)23(32)26-14-16-3-6-28(7-4-16)8-5-20(31)29-9-11-33-12-10-29/h13,15-16H,2-12,14,25H2,1H3,(H,26,32)
InChIKeyRUHFYNBQSFBOCF-UHFFFAOYSA-N
MW477.01 g/mol
LogP1.82
Rot. Bonds7

About 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide

5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 10096559) has the molecular formula C23H33ClN6O3 and a molecular weight of 477.01 g/mol. Its IUPAC name is 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID10096559
Molecular FormulaC23H33ClN6O3
Molecular Weight477.01 g/mol
Exact Mass476.23
IUPAC Name5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CCC(=O)N4CCOCC4)CC3)c2n1
InChIInChI=1S/C23H33ClN6O3/c1-2-17-15-30-21(25)19(24)13-18(22(30)27-17)23(32)26-14-16-3-6-28(7-4-16)8-5-20(31)29-9-11-33-12-10-29/h13,15-16H,2-12,14,25H2,1H3,(H,26,32)
InChIKeyRUHFYNBQSFBOCF-UHFFFAOYSA-N
XLogP1.82
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 10096559) is 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide is CCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CCC(=O)N4CCOCC4)CC3)c2n1.
What is the InChIKey of 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is RUHFYNBQSFBOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN6O3/c1-2-17-15-30-21(25)19(24)13-18(22(30)27-17)23(32)26-14-16-3-6-28(7-4-16)8-5-20(31)29-9-11-33-12-10-29/h13,15-16H,2-12,14,25H2,1H3,(H,26,32).
What are the key properties of 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide?
5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 477.01 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-2-ethyl-N-[[1-(3-morpholin-4-yl-3-oxopropyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 10096559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).