3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)

C75H71ClN14O6 — CID 123934755

IUPAC3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CNCCO)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CNCCO)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C27H21ClN4O2.2C24H25N5O2/c1-17-14-24(34-22-11-7-20(28)8-12-22)25(29-15-17)27(33)30-21-9-5-19(6-10-21)23-16-32-13-3-4-18(2)26(32)31-23;2*1-16-12-19(14-25-9-11-30)22(26-13-16)24(31)27-20-7-5-18(6-8-20)21-15-29-10-3-4-17(2)23(29)28-21/h3-16H,1-2H3,(H,30,33);2*3-8,10,12-13,15,25,30H,9,11,14H2,1-2H3,(H,27,31)
InChIKeyHBJNGIYUICQXLM-UHFFFAOYSA-N
MW1299.94 g/mol
LogP13.41
Rot. Bonds19

About 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)

3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) (PubChem CID 123934755) has the molecular formula C75H71ClN14O6 and a molecular weight of 1299.94 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide).

Molecular Properties

Compound Name3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)
PubChem CID123934755
Molecular FormulaC75H71ClN14O6
Molecular Weight1299.94 g/mol
Exact Mass1298.54
IUPAC Name3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CNCCO)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CNCCO)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C27H21ClN4O2.2C24H25N5O2/c1-17-14-24(34-22-11-7-20(28)8-12-22)25(29-15-17)27(33)30-21-9-5-19(6-10-21)23-16-32-13-3-4-18(2)26(32)31-23;2*1-16-12-19(14-25-9-11-30)22(26-13-16)24(31)27-20-7-5-18(6-8-20)21-15-29-10-3-4-17(2)23(29)28-21/h3-16H,1-2H3,(H,30,33);2*3-8,10,12-13,15,25,30H,9,11,14H2,1-2H3,(H,27,31)
InChIKeyHBJNGIYUICQXLM-UHFFFAOYSA-N
XLogP13.41
TPSA251.62 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001299.94
LogP ≤ 513.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[8-[2-[6-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-4-chloro-3-fluoro-2-(piperidin-4-ylmethylcarbamoyl)phenoxy]propylamino]-1-methylimidazo[1,5-a]pyrazin-3-yl]ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 138463048
(10R,12R)-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-(3,6-dihydro-2H-pyran-4-yl)-10-methyl-7-oxo-8-[4-(6-phenylmethoxyimidazo[1,2-a]pyridine-5-carbonyl)piperazin-1-yl]-1,3,5,6-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,8-triene-12-carboxamide
CID 171513549
3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 58236484
3-(4-chlorophenoxy)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-sulfanylpyridine-2-carboxamide
CID 68372952
3-(6-Chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one
CID 118165887
11-Chloro-10-ethyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid;2-[(2-chloro-6-morpholin-4-yl-3-pyridinyl)oxy]-1-[11-chloro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl]ethanone
CID 122673281
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-pyridin-2-yloxypyridine-2-carboxamide
CID 123308665
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-pyridin-4-yloxypyridine-2-carboxamide
CID 123537302
2-(4-chlorophenoxy)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(2-hydroxyethylamino)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)
CID 123638420
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
CID 157459955
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxybutan-2-yl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide;[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 157756952
[5-[1-(8-Amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone
CID 158012835

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)?
The IUPAC name of 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) (CID 123934755) is 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide).
What is the SMILES notation for 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)?
The canonical SMILES for 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) is Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CNCCO)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CNCCO)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)?
The InChIKey is HBJNGIYUICQXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O2.2C24H25N5O2/c1-17-14-24(34-22-11-7-20(28)8-12-22)25(29-15-17)27(33)30-21-9-5-19(6-10-21)23-16-32-13-3-4-18(2)26(32)31-23;2*1-16-12-19(14-25-9-11-30)22(26-13-16)24(31)27-20-7-5-18(6-8-20)21-15-29-10-3-4-17(2)23(29)28-21/h3-16H,1-2H3,(H,30,33);2*3-8,10,12-13,15,25,30H,9,11,14H2,1-2H3,(H,27,31).
What are the key properties of 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)?
3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) has a molecular weight of 1299.94 g/mol, XLogP of 13.41, 19 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(2-hydroxyethylamino)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) is sourced from PubChem (CID 123934755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).