[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

C91H90N20O10 — CID 157290010

IUPAC[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccc(-c4ccc5oc(C)nc5c4)cn23)cn1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CCOCC6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)NCCCN5CCCC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)NCCCN5CCOCC5)n4c3)ccc2o1
InChIInChI=1S/C23H23N5O3.C23H25N5O3.C23H25N5O2.C22H17N5O2/c1-15-25-19-10-16(2-4-21(19)31-15)17-3-5-22-24-11-20(28(22)12-17)23(29)27-13-18(14-27)26-6-8-30-9-7-26;1-16-26-19-13-17(3-5-21(19)31-16)18-4-6-22-25-14-20(28(22)15-18)23(29)24-7-2-8-27-9-11-30-12-10-27;1-16-26-19-13-17(5-7-21(19)30-16)18-6-8-22-25-14-20(28(22)15-18)23(29)24-9-4-12-27-10-2-3-11-27;1-13-3-6-17(10-23-13)26-22(28)19-11-24-21-8-5-16(12-27(19)21)15-4-7-20-18(9-15)25-14(2)29-20/h2-5,10-12,18H,6-9,13-14H2,1H3;3-6,13-15H,2,7-12H2,1H3,(H,24,29);5-8,13-15H,2-4,9-12H2,1H3,(H,24,29);3-12H,1-2H3,(H,26,28)
InChIKeyBARNQDVZQNCEFQ-UHFFFAOYSA-N
MW1623.85 g/mol
LogP13.58
Rot. Bonds18

About [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 157290010) has the molecular formula C91H90N20O10 and a molecular weight of 1623.85 g/mol. Its IUPAC name is [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID157290010
Molecular FormulaC91H90N20O10
Molecular Weight1623.85 g/mol
Exact Mass1622.71
IUPAC Name[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3ccc(-c4ccc5oc(C)nc5c4)cn23)cn1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CCOCC6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)NCCCN5CCCC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)NCCCN5CCOCC5)n4c3)ccc2o1
InChIInChI=1S/C23H23N5O3.C23H25N5O3.C23H25N5O2.C22H17N5O2/c1-15-25-19-10-16(2-4-21(19)31-15)17-3-5-22-24-11-20(28(22)12-17)23(29)27-13-18(14-27)26-6-8-30-9-7-26;1-16-26-19-13-17(3-5-21(19)31-16)18-4-6-22-25-14-20(28(22)15-18)23(29)24-7-2-8-27-9-11-30-12-10-27;1-16-26-19-13-17(5-7-21(19)30-16)18-6-8-22-25-14-20(28(22)15-18)23(29)24-9-4-12-27-10-2-3-11-27;1-13-3-6-17(10-23-13)26-22(28)19-11-24-21-8-5-16(12-27(19)21)15-4-7-20-18(9-15)25-14(2)29-20/h2-5,10-12,18H,6-9,13-14H2,1H3;3-6,13-15H,2,7-12H2,1H3,(H,24,29);5-8,13-15H,2-4,9-12H2,1H3,(H,24,29);3-12H,1-2H3,(H,26,28)
InChIKeyBARNQDVZQNCEFQ-UHFFFAOYSA-N
XLogP13.58
TPSA322.00 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001623.85
LogP ≤ 513.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

Serabelisib
CID 70798655
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 70798412
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 70798705
6-(1,3-benzoxazol-5-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 164610761
[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-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-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 [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 157290010) is [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cnc3ccc(-c4ccc5oc(C)nc5c4)cn23)cn1.Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(N6CCOCC6)C5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)NCCCN5CCCC5)n4c3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C(=O)NCCCN5CCOCC5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BARNQDVZQNCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3.C23H25N5O3.C23H25N5O2.C22H17N5O2/c1-15-25-19-10-16(2-4-21(19)31-15)17-3-5-22-24-11-20(28(22)12-17)23(29)27-13-18(14-27)26-6-8-30-9-7-26;1-16-26-19-13-17(3-5-21(19)31-16)18-4-6-22-25-14-20(28(22)15-18)23(29)24-7-2-8-27-9-11-30-12-10-27;1-16-26-19-13-17(5-7-21(19)30-16)18-6-8-22-25-14-20(28(22)15-18)23(29)24-9-4-12-27-10-2-3-11-27;1-13-3-6-17(10-23-13)26-22(28)19-11-24-21-8-5-16(12-27(19)21)15-4-7-20-18(9-15)25-14(2)29-20/h2-5,10-12,18H,6-9,13-14H2,1H3;3-6,13-15H,2,7-12H2,1H3,(H,24,29);5-8,13-15H,2-4,9-12H2,1H3,(H,24,29);3-12H,1-2H3,(H,26,28).
What are the key properties of [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 1623.85 g/mol, XLogP of 13.58, 18 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 157290010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).