N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone

C70H72N14O5S — CID 159381802

IUPACN-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone
SMILESCC(=O)C1=CC(c2ccc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)c3nccn23)=CC1.CS(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.Cc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(C)c3)c3nccn23)cn1
InChIInChI=1S/C27H31N5O.C24H25N5O.C19H16N4O3S/c1-19(2)30-14-16-31(17-15-30)24-8-6-23(7-9-24)29-25-10-11-26(32-13-12-28-27(25)32)22-5-4-21(18-22)20(3)33;1-17-15-20(5-7-22(17)28-11-13-30-14-12-28)27-21-6-8-23(29-10-9-25-24(21)29)19-4-3-18(2)26-16-19;1-27(25,26)15-4-2-14(3-5-15)22-16-6-7-17(23-11-10-21-19(16)23)13-8-9-20-18(24)12-13/h5-13,18-19,29H,4,14-17H2,1-3H3;3-10,15-16,27H,11-14H2,1-2H3;2-12,22H,1H3,(H,20,24)
InChIKeyLKZTYLZZOSELPY-UHFFFAOYSA-N
MW1221.51 g/mol
LogP12.34
Rot. Bonds14

About N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone

N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone (PubChem CID 159381802) has the molecular formula C70H72N14O5S and a molecular weight of 1221.51 g/mol. Its IUPAC name is N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone.

Molecular Properties

Compound NameN-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone
PubChem CID159381802
Molecular FormulaC70H72N14O5S
Molecular Weight1221.51 g/mol
Exact Mass1220.55
IUPAC NameN-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone
SMILESCC(=O)C1=CC(c2ccc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)c3nccn23)=CC1.CS(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.Cc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(C)c3)c3nccn23)cn1
InChIInChI=1S/C27H31N5O.C24H25N5O.C19H16N4O3S/c1-19(2)30-14-16-31(17-15-30)24-8-6-23(7-9-24)29-25-10-11-26(32-13-12-28-27(25)32)22-5-4-21(18-22)20(3)33;1-17-15-20(5-7-22(17)28-11-13-30-14-12-28)27-21-6-8-23(29-10-9-25-24(21)29)19-4-3-18(2)26-16-19;1-27(25,26)15-4-2-14(3-5-15)22-16-6-7-17(23-11-10-21-19(16)23)13-8-9-20-18(24)12-13/h5-13,18-19,29H,4,14-17H2,1-3H3;3-10,15-16,27H,11-14H2,1-2H3;2-12,22H,1H3,(H,20,24)
InChIKeyLKZTYLZZOSELPY-UHFFFAOYSA-N
XLogP12.34
TPSA203.90 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001221.51
LogP ≤ 512.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone with MolForge

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Related Compounds

N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-[4-[(E)-prop-1-enyl]phenyl]imidazo[1,2-a]pyridin-8-amine;methanamine;(3E,5Z)-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]hepta-3,5-dien-2-one
CID 143681985
4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
CID 157087300
5-[8-[4-(Benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 157156202
5-(6-amino-3-pyridinyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;2-chloro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 157378188
5-[8-(4-Methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 157752593
(E)-4-(dimethylamino)-N-[6-[[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methylsulfonylmethyl]-3-pyridinyl]but-2-enamide;bis((E)-4-(dimethylamino)-N-[6-[3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-oxopropyl]-3-pyridinyl]but-2-enamide)
CID 157912026
5-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide
CID 158775183
4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide;N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
CID 159342243
N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
CID 159577666
1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 159973906
2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;5-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 160394853
N-[4-[8-(3-fluoro-4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
CID 160704975

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone?
The IUPAC name of N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone (CID 159381802) is N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone.
What is the SMILES notation for N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone?
The canonical SMILES for N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone is CC(=O)C1=CC(c2ccc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)c3nccn23)=CC1.CS(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.Cc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(C)c3)c3nccn23)cn1.
What is the InChIKey of N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone?
The InChIKey is LKZTYLZZOSELPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O.C24H25N5O.C19H16N4O3S/c1-19(2)30-14-16-31(17-15-30)24-8-6-23(7-9-24)29-25-10-11-26(32-13-12-28-27(25)32)22-5-4-21(18-22)20(3)33;1-17-15-20(5-7-22(17)28-11-13-30-14-12-28)27-21-6-8-23(29-10-9-25-24(21)29)19-4-3-18(2)26-16-19;1-27(25,26)15-4-2-14(3-5-15)22-16-6-7-17(23-11-10-21-19(16)23)13-8-9-20-18(24)12-13/h5-13,18-19,29H,4,14-17H2,1-3H3;3-10,15-16,27H,11-14H2,1-2H3;2-12,22H,1H3,(H,20,24).
What are the key properties of N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone?
N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone has a molecular weight of 1221.51 g/mol, XLogP of 12.34, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-morpholin-4-ylphenyl)-5-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;1-[3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]cyclopenta-1,3-dien-1-yl]ethanone is sourced from PubChem (CID 159381802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).