(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C107H99F3N22O13 — CID 159129937

IUPAC(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N(C)C5CCOCC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(F)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CC[C@@H](O)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CC[C@@H](O)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/2C23H23N5O3.C22H22N4O3.C20H16F2N4O2.C19H15FN4O2/c2*1-14-25-19-8-15(2-4-21(19)31-14)16-3-5-22-24-9-20(28(22)10-16)23(30)27-11-17(12-27)26-7-6-18(29)13-26;1-14-24-18-11-15(3-5-20(18)29-14)16-4-6-21-23-12-19(26(21)13-16)22(27)25(2)17-7-9-28-10-8-17;1-12-24-15-8-13(2-4-17(15)28-12)14-3-5-18-23-9-16(26(18)10-14)19(27)25-7-6-20(21,22)11-25;1-11-22-15-6-12(2-4-17(15)26-11)13-3-5-18-21-7-16(24(18)8-13)19(25)23-9-14(20)10-23/h2*2-5,8-10,17-18,29H,6-7,11-13H2,1H3;3-6,11-13,17H,7-10H2,1-2H3;2-5,8-10H,6-7,11H2,1H3;2-8,14H,9-10H2,1H3/t2*18-;;;/m11.../s1
InChIKeyKGTJLJDDFPWSDH-WGTKHLDZSA-N
MW1958.10 g/mol
LogP15.56
Rot. Bonds13

About (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 159129937) has the molecular formula C107H99F3N22O13 and a molecular weight of 1958.10 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID159129937
Molecular FormulaC107H99F3N22O13
Molecular Weight1958.10 g/mol
Exact Mass1956.77
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N(C)C5CCOCC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(F)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CC[C@@H](O)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CC[C@@H](O)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/2C23H23N5O3.C22H22N4O3.C20H16F2N4O2.C19H15FN4O2/c2*1-14-25-19-8-15(2-4-21(19)31-14)16-3-5-22-24-9-20(28(22)10-16)23(30)27-11-17(12-27)26-7-6-18(29)13-26;1-14-24-18-11-15(3-5-20(18)29-14)16-4-6-21-23-12-19(26(21)13-16)22(27)25(2)17-7-9-28-10-8-17;1-12-24-15-8-13(2-4-17(15)28-12)14-3-5-18-23-9-16(26(18)10-14)19(27)25-7-6-20(21,22)11-25;1-11-22-15-6-12(2-4-17(15)26-11)13-3-5-18-21-7-16(24(18)8-13)19(25)23-9-14(20)10-23/h2*2-5,8-10,17-18,29H,6-7,11-13H2,1H3;3-6,11-13,17H,7-10H2,1-2H3;2-5,8-10H,6-7,11H2,1H3;2-8,14H,9-10H2,1H3/t2*18-;;;/m11.../s1
InChIKeyKGTJLJDDFPWSDH-WGTKHLDZSA-N
XLogP15.56
TPSA374.37 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.10
LogP ≤ 515.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]methanone
CID 70798611
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-[(3S)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]methanone
CID 70798612
(3,3-Difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241113
(3,3-Difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241121
[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
CID 118241124
(4,4-Difluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241127
[3-(3,3-Difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241131
[3-(3,3-Difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241132
7-[1-[5-[1-[8-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-methylpropan-2-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpropan-2-yl]-2-pyridin-3-yl-1,3-benzoxazole
CID 139382904
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-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-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
5-[3-(4,4-difluoropiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-2-methyl-1,3-benzoxazole;2-methyl-5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole
CID 157232728
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 157242209

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 159129937) is (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2cc(-c3ccc4ncc(C(=O)N(C)C5CCOCC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(F)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CC[C@@H](O)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CC[C@@H](O)C6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)C5)n4c3)ccc2o1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KGTJLJDDFPWSDH-WGTKHLDZSA-N. The full InChI is InChI=1S/2C23H23N5O3.C22H22N4O3.C20H16F2N4O2.C19H15FN4O2/c2*1-14-25-19-8-15(2-4-21(19)31-14)16-3-5-22-24-9-20(28(22)10-16)23(30)27-11-17(12-27)26-7-6-18(29)13-26;1-14-24-18-11-15(3-5-20(18)29-14)16-4-6-21-23-12-19(26(21)13-16)22(27)25(2)17-7-9-28-10-8-17;1-12-24-15-8-13(2-4-17(15)28-12)14-3-5-18-23-9-16(26(18)10-14)19(27)25-7-6-20(21,22)11-25;1-11-22-15-6-12(2-4-17(15)26-11)13-3-5-18-21-7-16(24(18)8-13)19(25)23-9-14(20)10-23/h2*2-5,8-10,17-18,29H,6-7,11-13H2,1H3;3-6,11-13,17H,7-10H2,1-2H3;2-5,8-10H,6-7,11H2,1H3;2-8,14H,9-10H2,1H3/t2*18-;;;/m11.../s1.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 1958.10 g/mol, XLogP of 15.56, 13 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-fluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([3-[(3R)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 159129937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).