7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one

C45H43N9O2S2 — CID 160843839

IUPAC7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cccs1)C2.Cc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cncs1)C2
InChIInChI=1S/C23H22N4OS.C22H21N5OS/c1-14-5-7-16-11-18(23(28)25-19(16)10-14)21-22(24-12-17-4-3-9-29-17)27-13-15(2)6-8-20(27)26-21;1-13-3-5-15-8-17(22(28)25-18(15)7-13)20-21(24-10-16-9-23-12-29-16)27-11-14(2)4-6-19(27)26-20/h3-10,13,18,24H,11-12H2,1-2H3,(H,25,28);3-7,9,11-12,17,24H,8,10H2,1-2H3,(H,25,28)
InChIKeySIJMXSWPHUYSNT-UHFFFAOYSA-N
MW806.03 g/mol
LogP9.20
Rot. Bonds8

About 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one

7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 160843839) has the molecular formula C45H43N9O2S2 and a molecular weight of 806.03 g/mol. Its IUPAC name is 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID160843839
Molecular FormulaC45H43N9O2S2
Molecular Weight806.03 g/mol
Exact Mass805.30
IUPAC Name7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cccs1)C2.Cc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cncs1)C2
InChIInChI=1S/C23H22N4OS.C22H21N5OS/c1-14-5-7-16-11-18(23(28)25-19(16)10-14)21-22(24-12-17-4-3-9-29-17)27-13-15(2)6-8-20(27)26-21;1-13-3-5-15-8-17(22(28)25-18(15)7-13)20-21(24-10-16-9-23-12-29-16)27-11-14(2)4-6-19(27)26-20/h3-10,13,18,24H,11-12H2,1-2H3,(H,25,28);3-7,9,11-12,17,24H,8,10H2,1-2H3,(H,25,28)
InChIKeySIJMXSWPHUYSNT-UHFFFAOYSA-N
XLogP9.20
TPSA129.75 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500806.03
LogP ≤ 59.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

US11071730, Example 162
CID 146639946
(1R,5S)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-1-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methylnaphthalen-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159386052
3-[3-[(4S,5S)-2-amino-5-benzyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile;3-[3-[(4S,5R)-2-amino-5-benzyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile;5-[(4S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]thiophene-2-carbonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-(1,3-thiazol-2-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-phenylacetamide
CID 161395487
N-[3-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 52932646
N-[3-[3-[2-[3-[[4-(dimethylamino)piperidin-1-yl]methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 52932874
N-[3-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-3-ylacetamide
CID 52933591
N-[3-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 52933829
N-[3-[3-[2-[3-(1-ethylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 52934064
N-[3-[3-[2-[4-(1-acetylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 52934065
N-[3-[3-[2-[3-(1-acetylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 52934066
N-[3-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 52934989
N-[3-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 52934990

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one (CID 160843839) is 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cccs1)C2.Cc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cncs1)C2.
What is the InChIKey of 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SIJMXSWPHUYSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS.C22H21N5OS/c1-14-5-7-16-11-18(23(28)25-19(16)10-14)21-22(24-12-17-4-3-9-29-17)27-13-15(2)6-8-20(27)26-21;1-13-3-5-15-8-17(22(28)25-18(15)7-13)20-21(24-10-16-9-23-12-29-16)27-11-14(2)4-6-19(27)26-20/h3-10,13,18,24H,11-12H2,1-2H3,(H,25,28);3-7,9,11-12,17,24H,8,10H2,1-2H3,(H,25,28).
What are the key properties of 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one?
7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 806.03 g/mol, XLogP of 9.20, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 160843839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).