N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine

C64H69FN14O3 — CID 158321467

IUPACN-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cc1F.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cn1.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)nc1
InChIInChI=1S/C22H23FN4O.2C21H23N5O/c1-13-19(14(2)28-26-13)16-10-9-15(12-17(16)23)20-21(25-22(3,4)5)27-11-7-6-8-18(27)24-20;1-13-18(14(2)27-25-13)16-10-9-15(12-22-16)19-20(24-21(3,4)5)26-11-7-6-8-17(26)23-19;1-13-18(14(2)27-25-13)15-9-10-16(22-12-15)19-20(24-21(3,4)5)26-11-7-6-8-17(26)23-19/h6-12,25H,1-5H3;2*6-12,24H,1-5H3
InChIKeyGOXBFDWLOWLZBD-UHFFFAOYSA-N
MW1101.35 g/mol
LogP15.38
Rot. Bonds9

About N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine

N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 158321467) has the molecular formula C64H69FN14O3 and a molecular weight of 1101.35 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID158321467
Molecular FormulaC64H69FN14O3
Molecular Weight1101.35 g/mol
Exact Mass1100.57
IUPAC NameN-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cc1F.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cn1.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)nc1
InChIInChI=1S/C22H23FN4O.2C21H23N5O/c1-13-19(14(2)28-26-13)16-10-9-15(12-17(16)23)20-21(25-22(3,4)5)27-11-7-6-8-18(27)24-20;1-13-18(14(2)27-25-13)16-10-9-15(12-22-16)19-20(24-21(3,4)5)26-11-7-6-8-17(26)23-19;1-13-18(14(2)27-25-13)15-9-10-16(22-12-15)19-20(24-21(3,4)5)26-11-7-6-8-17(26)23-19/h6-12,25H,1-5H3;2*6-12,24H,1-5H3
InChIKeyGOXBFDWLOWLZBD-UHFFFAOYSA-N
XLogP15.38
TPSA191.86 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001101.35
LogP ≤ 515.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
N-isopropyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834061
N-cyclohexyl-2-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyridin-3-amine
CID 117834606
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 117841261
N-tert-butyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 117841270
2-[4-(3,5-Dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyridin-3-amine
CID 117834619
N-butyl-2-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyrazin-3-amine
CID 117834640
N-tert-butyl-2-(5-(3,5-dimethylisoxazol-4-yl)pyridin-2-yl)imidazo[1,2-a]pyrazin-3-amine
CID 117841252
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine
CID 117841264
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine
CID 117841268
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyrazin-3-amine
CID 117841269
US11420970, Example 284
CID 156073212

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine (CID 158321467) is N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine is Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cc1F.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cn1.Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)nc1.
What is the InChIKey of N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is GOXBFDWLOWLZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O.2C21H23N5O/c1-13-19(14(2)28-26-13)16-10-9-15(12-17(16)23)20-21(25-22(3,4)5)27-11-7-6-8-18(27)24-20;1-13-18(14(2)27-25-13)16-10-9-15(12-22-16)19-20(24-21(3,4)5)26-11-7-6-8-17(26)23-19;1-13-18(14(2)27-25-13)15-9-10-16(22-12-15)19-20(24-21(3,4)5)26-11-7-6-8-17(26)23-19/h6-12,25H,1-5H3;2*6-12,24H,1-5H3.
What are the key properties of N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine?
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 1101.35 g/mol, XLogP of 15.38, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 158321467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).