N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane

C27H39ClFN5O2 — CID 143442403

IUPACN-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane
SMILESCC.CCCCOCCN(CCCCN)C(=O)c1cn2ccnc2c(Cl)c1Nc1ccc(C)cc1F
InChIInChI=1S/C25H33ClFN5O2.C2H6/c1-3-4-14-34-15-13-31(11-6-5-9-28)25(33)19-17-32-12-10-29-24(32)22(26)23(19)30-21-8-7-18(2)16-20(21)27;1-2/h7-8,10,12,16-17,30H,3-6,9,11,13-15,28H2,1-2H3;1-2H3
InChIKeyTUQDGJJOVRWVPX-UHFFFAOYSA-N
MW520.09 g/mol
LogP6.20
Rot. Bonds13

About N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane

N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane (PubChem CID 143442403) has the molecular formula C27H39ClFN5O2 and a molecular weight of 520.09 g/mol. Its IUPAC name is N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane.

Molecular Properties

Compound NameN-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane
PubChem CID143442403
Molecular FormulaC27H39ClFN5O2
Molecular Weight520.09 g/mol
Exact Mass519.28
IUPAC NameN-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane
SMILESCC.CCCCOCCN(CCCCN)C(=O)c1cn2ccnc2c(Cl)c1Nc1ccc(C)cc1F
InChIInChI=1S/C25H33ClFN5O2.C2H6/c1-3-4-14-34-15-13-31(11-6-5-9-28)25(33)19-17-32-12-10-29-24(32)22(26)23(19)30-21-8-7-18(2)16-20(21)27;1-2/h7-8,10,12,16-17,30H,3-6,9,11,13-15,28H2,1-2H3;1-2H3
InChIKeyTUQDGJJOVRWVPX-UHFFFAOYSA-N
XLogP6.20
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.09
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
CID 89185454
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
6-bromo-N-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79956291
N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide
CID 63754246
7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353191
N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
CID 89353136
7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 89353166
ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane
CID 143879990
2-[[7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carbonyl]amino]oxyethyl dihydrogen phosphate
CID 58760505
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methyl-2-(methylamino)benzamide
CID 62509551
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane?
The IUPAC name of N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane (CID 143442403) is N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane.
What is the SMILES notation for N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane?
The canonical SMILES for N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane is CC.CCCCOCCN(CCCCN)C(=O)c1cn2ccnc2c(Cl)c1Nc1ccc(C)cc1F.
What is the InChIKey of N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane?
The InChIKey is TUQDGJJOVRWVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClFN5O2.C2H6/c1-3-4-14-34-15-13-31(11-6-5-9-28)25(33)19-17-32-12-10-29-24(32)22(26)23(19)30-21-8-7-18(2)16-20(21)27;1-2/h7-8,10,12,16-17,30H,3-6,9,11,13-15,28H2,1-2H3;1-2H3.
What are the key properties of N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane?
N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane has a molecular weight of 520.09 g/mol, XLogP of 6.20, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane is sourced from PubChem (CID 143442403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).