[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

C107H101F2N21O12 — CID 161320560

IUPAC[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CC(F)(F)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC[C@@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC[C@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@H]5C)n4c3)ccc2o1
InChIInChI=1S/C23H21F2N5O2.2C21H20N4O3.2C21H20N4O2/c1-14-27-18-8-15(2-4-20(18)32-14)16-3-5-21-26-9-19(30(21)10-16)22(31)28-7-6-17(11-28)29-12-23(24,25)13-29;2*1-13-12-27-8-7-24(13)21(26)18-10-22-20-6-4-16(11-25(18)20)15-3-5-19-17(9-15)23-14(2)28-19;2*1-13-4-3-9-24(13)21(26)18-11-22-20-8-6-16(12-25(18)20)15-5-7-19-17(10-15)23-14(2)27-19/h2-5,8-10,17H,6-7,11-13H2,1H3;2*3-6,9-11,13H,7-8,12H2,1-2H3;2*5-8,10-13H,3-4,9H2,1-2H3/t;4*13-/m.1010/s1
InChIKeyVKBVPQZWYLTIHS-RPHGVKERSA-N
MW1911.12 g/mol
LogP18.39
Rot. Bonds11

About [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 161320560) has the molecular formula C107H101F2N21O12 and a molecular weight of 1911.12 g/mol. Its IUPAC name is [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
PubChem CID161320560
Molecular FormulaC107H101F2N21O12
Molecular Weight1911.12 g/mol
Exact Mass1909.79
IUPAC Name[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CC(F)(F)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC[C@@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC[C@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@H]5C)n4c3)ccc2o1
InChIInChI=1S/C23H21F2N5O2.2C21H20N4O3.2C21H20N4O2/c1-14-27-18-8-15(2-4-20(18)32-14)16-3-5-21-26-9-19(30(21)10-16)22(31)28-7-6-17(11-28)29-12-23(24,25)13-29;2*1-13-12-27-8-7-24(13)21(26)18-10-22-20-6-4-16(11-25(18)20)15-3-5-19-17(9-15)23-14(2)28-19;2*1-13-4-3-9-24(13)21(26)18-11-22-20-8-6-16(12-25(18)20)15-5-7-19-17(10-15)23-14(2)27-19/h2-5,8-10,17H,6-7,11-13H2,1H3;2*3-6,9-11,13H,7-8,12H2,1-2H3;2*5-8,10-13H,3-4,9H2,1-2H3/t;4*13-/m.1010/s1
InChIKeyVKBVPQZWYLTIHS-RPHGVKERSA-N
XLogP18.39
TPSA339.90 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds11
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001911.12
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone 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

Serabelisib
CID 70798655
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]methanone
CID 50991339
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 50991340
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone
CID 70798436
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]methanone
CID 70798444
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 70798504
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 70798516
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 70798615
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 70798616
[6-(2-Amino-6-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 70798725
[6-(2-Amino-7-fluoro-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 70798736

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (CID 161320560) is [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CC(F)(F)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC[C@@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC[C@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@@H]5C)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCOC[C@H]5C)n4c3)ccc2o1.
What is the InChIKey of [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is VKBVPQZWYLTIHS-RPHGVKERSA-N. The full InChI is InChI=1S/C23H21F2N5O2.2C21H20N4O3.2C21H20N4O2/c1-14-27-18-8-15(2-4-20(18)32-14)16-3-5-21-26-9-19(30(21)10-16)22(31)28-7-6-17(11-28)29-12-23(24,25)13-29;2*1-13-12-27-8-7-24(13)21(26)18-10-22-20-6-4-16(11-25(18)20)15-3-5-19-17(9-15)23-14(2)28-19;2*1-13-4-3-9-24(13)21(26)18-11-22-20-8-6-16(12-25(18)20)15-5-7-19-17(10-15)23-14(2)27-19/h2-5,8-10,17H,6-7,11-13H2,1H3;2*3-6,9-11,13H,7-8,12H2,1-2H3;2*5-8,10-13H,3-4,9H2,1-2H3/t;4*13-/m.1010/s1.
What are the key properties of [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 1911.12 g/mol, XLogP of 18.39, 11 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 161320560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).