4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide

C71H72N16O6 — CID 157417624

IUPAC4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4cccc(C(N)=O)c4)n4ccnc34)cc2)CC1.O=c1[nH]cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)c(=O)[nH]1.Oc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1
InChIInChI=1S/C27H30N6O.C23H22N4O2.C21H20N6O3/c1-19(2)31-14-16-32(17-15-31)23-8-6-22(7-9-23)30-24-10-11-25(33-13-12-29-27(24)33)20-4-3-5-21(18-20)26(28)34;28-20-7-1-17(2-8-20)22-10-9-21(23-24-11-12-27(22)23)25-18-3-5-19(6-4-18)26-13-15-29-16-14-26;28-20-16(13-23-21(29)25-20)18-6-5-17(19-22-7-8-27(18)19)24-14-1-3-15(4-2-14)26-9-11-30-12-10-26/h3-13,18-19,30H,14-17H2,1-2H3,(H2,28,34);1-12,25,28H,13-16H2;1-8,13,24H,9-12H2,(H2,23,25,28,29)
InChIKeyBPAPEHHESUFWLL-UHFFFAOYSA-N
MW1245.46 g/mol
LogP10.62
Rot. Bonds14

About 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide

4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide (PubChem CID 157417624) has the molecular formula C71H72N16O6 and a molecular weight of 1245.46 g/mol. Its IUPAC name is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide
PubChem CID157417624
Molecular FormulaC71H72N16O6
Molecular Weight1245.46 g/mol
Exact Mass1244.58
IUPAC Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4cccc(C(N)=O)c4)n4ccnc34)cc2)CC1.O=c1[nH]cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)c(=O)[nH]1.Oc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1
InChIInChI=1S/C27H30N6O.C23H22N4O2.C21H20N6O3/c1-19(2)31-14-16-32(17-15-31)23-8-6-22(7-9-23)30-24-10-11-25(33-13-12-29-27(24)33)20-4-3-5-21(18-20)26(28)34;28-20-7-1-17(2-8-20)22-10-9-21(23-24-11-12-27(22)23)25-18-3-5-19(6-4-18)26-13-15-29-16-14-26;28-20-16(13-23-21(29)25-20)18-6-5-17(19-22-7-8-27(18)19)24-14-1-3-15(4-2-14)26-9-11-30-12-10-26/h3-13,18-19,30H,14-17H2,1-2H3,(H2,28,34);1-12,25,28H,13-16H2;1-8,13,24H,9-12H2,(H2,23,25,28,29)
InChIKeyBPAPEHHESUFWLL-UHFFFAOYSA-N
XLogP10.62
TPSA248.45 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001245.46
LogP ≤ 510.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide with MolForge

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Related Compounds

6-Fluoro-3-(cis-4-{[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]amino}cyclohexyl)-1-[4'-hydroxy-2'-(morpholin-4-ylmethyl)biphenyl-3-yl]pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 25173405
6-Fluoro-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 57689820
6-Fluoro-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(imidazo[1,2-a]pyridin-8-ylmethylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 57689842
6-Fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[5-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 57689872
6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 57689897
6-fluoro-1-[4'-hydroxy-2'-(morpholin-4-ylmethyl)biphenyl-3-yl]-3-(cis-4-{[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino}cyclohexyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 57690016
6-fluoro-1-[4'-hydroxy-2'-(morpholin-4-ylmethyl)biphenyl-3-yl]-3-(cis-4-{[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino}cyclohexyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 57690020
6-Fluoro-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 57690047
6-fluoro-1-[4'-hydroxy-2'-(morpholin-4-ylmethyl)biphenyl-3-yl]-3-(cis-4-{[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino}cyclohexyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 57690063
1-(2'-{[(2R,6S)-2,6-Dimethylmorpholin-4-yl]methyl}-4'-hydroxybiphenyl-3-yl)-6-fluoro-3-(cis-4-{[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]amino}cyclohexyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 57690126
6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 57690204
6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 57690224

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide?
The IUPAC name of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide (CID 157417624) is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide?
The canonical SMILES for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide is CC(C)N1CCN(c2ccc(Nc3ccc(-c4cccc(C(N)=O)c4)n4ccnc34)cc2)CC1.O=c1[nH]cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)c(=O)[nH]1.Oc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1.
What is the InChIKey of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide?
The InChIKey is BPAPEHHESUFWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O.C23H22N4O2.C21H20N6O3/c1-19(2)31-14-16-32(17-15-31)23-8-6-22(7-9-23)30-24-10-11-25(33-13-12-29-27(24)33)20-4-3-5-21(18-20)26(28)34;28-20-7-1-17(2-8-20)22-10-9-21(23-24-11-12-27(22)23)25-18-3-5-19(6-4-18)26-13-15-29-16-14-26;28-20-16(13-23-21(29)25-20)18-6-5-17(19-22-7-8-27(18)19)24-14-1-3-15(4-2-14)26-9-11-30-12-10-26/h3-13,18-19,30H,14-17H2,1-2H3,(H2,28,34);1-12,25,28H,13-16H2;1-8,13,24H,9-12H2,(H2,23,25,28,29).
What are the key properties of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide?
4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide has a molecular weight of 1245.46 g/mol, XLogP of 10.62, 14 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide is sourced from PubChem (CID 157417624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).