8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

C23H27Cl2N5O3 — CID 59991464

IUPAC8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOCCO)cn3c(CN4CCCCC4)cnc3c2Cl)c(Cl)c1
InChIInChI=1S/C23H27Cl2N5O3/c1-15-5-6-19(18(24)11-15)27-21-17(23(32)28-33-10-9-31)14-30-16(12-26-22(30)20(21)25)13-29-7-3-2-4-8-29/h5-6,11-12,14,27,31H,2-4,7-10,13H2,1H3,(H,28,32)
InChIKeyRUCRUGGEZPTQBE-UHFFFAOYSA-N
MW492.41 g/mol
LogP4.33
Rot. Bonds8

About 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 59991464) has the molecular formula C23H27Cl2N5O3 and a molecular weight of 492.41 g/mol. Its IUPAC name is 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID59991464
Molecular FormulaC23H27Cl2N5O3
Molecular Weight492.41 g/mol
Exact Mass491.15
IUPAC Name8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOCCO)cn3c(CN4CCCCC4)cnc3c2Cl)c(Cl)c1
InChIInChI=1S/C23H27Cl2N5O3/c1-15-5-6-19(18(24)11-15)27-21-17(23(32)28-33-10-9-31)14-30-16(12-26-22(30)20(21)25)13-29-7-3-2-4-8-29/h5-6,11-12,14,27,31H,2-4,7-10,13H2,1H3,(H,28,32)
InChIKeyRUCRUGGEZPTQBE-UHFFFAOYSA-N
XLogP4.33
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.41
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760536
3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58886667
CID 163986010
CID 163986010
7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 11685443
8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760507
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
2-[[7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carbonyl]amino]oxyethyl dihydrogen phosphate
CID 58760505
methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate
CID 58886649
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922220
6-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole-5-carboxamide
CID 89127398
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005
7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353165

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 59991464) is 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(Nc2c(C(=O)NOCCO)cn3c(CN4CCCCC4)cnc3c2Cl)c(Cl)c1.
What is the InChIKey of 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is RUCRUGGEZPTQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N5O3/c1-15-5-6-19(18(24)11-15)27-21-17(23(32)28-33-10-9-31)14-30-16(12-26-22(30)20(21)25)13-29-7-3-2-4-8-29/h5-6,11-12,14,27,31H,2-4,7-10,13H2,1H3,(H,28,32).
What are the key properties of 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 492.41 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 59991464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).