4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine

C51H58F2N12O — CID 143682000

IUPAC4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCC.O=c1cc(-c2ccc(Nc3ccc(N4CCCC(F)(F)C4)cc3)c3nccn23)cc[nH]1.c1cn2c(-c3cn[nH]c3)ccc(Nc3ccc(N4CCC(N5CCCCC5)CC4)cc3)c2n1
InChIInChI=1S/C26H31N7.C23H21F2N5O.C2H6/c1-2-13-31(14-3-1)23-10-15-32(16-11-23)22-6-4-21(5-7-22)30-24-8-9-25(20-18-28-29-19-20)33-17-12-27-26(24)33;24-23(25)9-1-12-29(15-23)18-4-2-17(3-5-18)28-19-6-7-20(30-13-11-27-22(19)30)16-8-10-26-21(31)14-16;1-2/h4-9,12,17-19,23,30H,1-3,10-11,13-16H2,(H,28,29);2-8,10-11,13-14,28H,1,9,12,15H2,(H,26,31);1-2H3
InChIKeyLYTCQHVBGGGVTP-UHFFFAOYSA-N
MW893.10 g/mol
LogP10.62
Rot. Bonds9

About 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine

4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 143682000) has the molecular formula C51H58F2N12O and a molecular weight of 893.10 g/mol. Its IUPAC name is 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
PubChem CID143682000
Molecular FormulaC51H58F2N12O
Molecular Weight893.10 g/mol
Exact Mass892.48
IUPAC Name4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCC.O=c1cc(-c2ccc(Nc3ccc(N4CCCC(F)(F)C4)cc3)c3nccn23)cc[nH]1.c1cn2c(-c3cn[nH]c3)ccc(Nc3ccc(N4CCC(N5CCCCC5)CC4)cc3)c2n1
InChIInChI=1S/C26H31N7.C23H21F2N5O.C2H6/c1-2-13-31(14-3-1)23-10-15-32(16-11-23)22-6-4-21(5-7-22)30-24-8-9-25(20-18-28-29-19-20)33-17-12-27-26(24)33;24-23(25)9-1-12-29(15-23)18-4-2-17(3-5-18)28-19-6-7-20(30-13-11-27-22(19)30)16-8-10-26-21(31)14-16;1-2/h4-9,12,17-19,23,30H,1-3,10-11,13-16H2,(H,28,29);2-8,10-11,13-14,28H,1,9,12,15H2,(H,26,31);1-2H3
InChIKeyLYTCQHVBGGGVTP-UHFFFAOYSA-N
XLogP10.62
TPSA129.92 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.10
LogP ≤ 510.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11111247, Example 9
CID 146448849
US11111247, Example 5
CID 146448865
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
1-[5-[7-(1-Piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 44547900
N-(6-(1-(1-((1H-pyrazol-3-yl)methyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538627
N-(6-(1-(1-((1H-pyrazol-5-yl)methyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118539006
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(2-(1H-pyrazol-4-yl)ethyl-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)isonicotinamide
CID 118547775
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-((1-methyl-1H-pyrazol-4-yl) methyl)-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl) isonicotinamide
CID 118547786
US10544143, Example 919
CID 138686379
US10544143, Example 909
CID 138687056
1-[3-[7-[1-(1-Acetylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547002
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 89536097

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine (CID 143682000) is 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine is CC.O=c1cc(-c2ccc(Nc3ccc(N4CCCC(F)(F)C4)cc3)c3nccn23)cc[nH]1.c1cn2c(-c3cn[nH]c3)ccc(Nc3ccc(N4CCC(N5CCCCC5)CC4)cc3)c2n1.
What is the InChIKey of 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is LYTCQHVBGGGVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7.C23H21F2N5O.C2H6/c1-2-13-31(14-3-1)23-10-15-32(16-11-23)22-6-4-21(5-7-22)30-24-8-9-25(20-18-28-29-19-20)33-17-12-27-26(24)33;24-23(25)9-1-12-29(15-23)18-4-2-17(3-5-18)28-19-6-7-20(30-13-11-27-22(19)30)16-8-10-26-21(31)14-16;1-2/h4-9,12,17-19,23,30H,1-3,10-11,13-16H2,(H,28,29);2-8,10-11,13-14,28H,1,9,12,15H2,(H,26,31);1-2H3.
What are the key properties of 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine?
4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 893.10 g/mol, XLogP of 10.62, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 143682000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).