3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine

C49H49F3N10O3 — CID 158015660

IUPAC3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine
SMILESFCCNc1ccn2cc(-c3ccc(N4CCOCC4)cc3)nc2c1.Oc1ccc(-c2cn3ccc(NCCF)cc3n2)cc1.Oc1cccc(-c2cn3ccc(NCCF)cc3n2)c1
InChIInChI=1S/C19H21FN4O.2C15H14FN3O/c20-6-7-21-16-5-8-24-14-18(22-19(24)13-16)15-1-3-17(4-2-15)23-9-11-25-12-10-23;16-6-7-17-12-5-8-19-10-14(18-15(19)9-12)11-1-3-13(20)4-2-11;16-5-6-17-12-4-7-19-10-14(18-15(19)9-12)11-2-1-3-13(20)8-11/h1-5,8,13-14,21H,6-7,9-12H2;1-5,8-10,17,20H,6-7H2;1-4,7-10,17,20H,5-6H2
InChIKeyFFKUJZFJVAMRSO-UHFFFAOYSA-N
MW882.99 g/mol
LogP9.40
Rot. Bonds13

About 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine

3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine (PubChem CID 158015660) has the molecular formula C49H49F3N10O3 and a molecular weight of 882.99 g/mol. Its IUPAC name is 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine.

Molecular Properties

Compound Name3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine
PubChem CID158015660
Molecular FormulaC49H49F3N10O3
Molecular Weight882.99 g/mol
Exact Mass882.39
IUPAC Name3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine
SMILESFCCNc1ccn2cc(-c3ccc(N4CCOCC4)cc3)nc2c1.Oc1ccc(-c2cn3ccc(NCCF)cc3n2)cc1.Oc1cccc(-c2cn3ccc(NCCF)cc3n2)c1
InChIInChI=1S/C19H21FN4O.2C15H14FN3O/c20-6-7-21-16-5-8-24-14-18(22-19(24)13-16)15-1-3-17(4-2-15)23-9-11-25-12-10-23;16-6-7-17-12-5-8-19-10-14(18-15(19)9-12)11-1-3-13(20)4-2-11;16-5-6-17-12-4-7-19-10-14(18-15(19)9-12)11-2-1-3-13(20)8-11/h1-5,8,13-14,21H,6-7,9-12H2;1-5,8-10,17,20H,6-7H2;1-4,7-10,17,20H,5-6H2
InChIKeyFFKUJZFJVAMRSO-UHFFFAOYSA-N
XLogP9.40
TPSA140.92 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.99
LogP ≤ 59.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine with MolForge

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Related Compounds

3-(6-morpholino-9-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-9H-purin-2-yl)phenol
CID 25073081
3-(6-morpholino-9-(1-((6-morpholinopyridin-3-yl)methyl)piperidin-4-yl)-9H-purin-2-yl)phenol
CID 25073388
3-(8-Morpholin-4-yl-3-piperazin-1-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 46946050
3-[8-Morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 57394839
2,6-Difluoro-4-[[9-[4-(2-morpholin-4-ylethyl)phenyl]purin-2-yl]amino]phenol
CID 164611094
3-[8-(Cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenol
CID 10139060
4-[5-[4-[4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413933
4-[5-[4-[4-[5-(3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413994
US11420970, Example 214
CID 156073468
4-[2-[6-[(4,5-difluoro-1H-benzimidazol-2-yl)methylamino]-2-morpholin-4-ylpurin-9-yl]ethyl]phenol
CID 76401614
3-[6-[6-(2-Morpholino-ethylamino)-3-pyridyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 126673164
4-[6-[6-(2-Morpholino-ethylamino)-3-pyridyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137120128

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine?
The IUPAC name of 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine (CID 158015660) is 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine.
What is the SMILES notation for 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine?
The canonical SMILES for 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine is FCCNc1ccn2cc(-c3ccc(N4CCOCC4)cc3)nc2c1.Oc1ccc(-c2cn3ccc(NCCF)cc3n2)cc1.Oc1cccc(-c2cn3ccc(NCCF)cc3n2)c1.
What is the InChIKey of 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine?
The InChIKey is FFKUJZFJVAMRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O.2C15H14FN3O/c20-6-7-21-16-5-8-24-14-18(22-19(24)13-16)15-1-3-17(4-2-15)23-9-11-25-12-10-23;16-6-7-17-12-5-8-19-10-14(18-15(19)9-12)11-1-3-13(20)4-2-11;16-5-6-17-12-4-7-19-10-14(18-15(19)9-12)11-2-1-3-13(20)8-11/h1-5,8,13-14,21H,6-7,9-12H2;1-5,8-10,17,20H,6-7H2;1-4,7-10,17,20H,5-6H2.
What are the key properties of 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine?
3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine has a molecular weight of 882.99 g/mol, XLogP of 9.40, 13 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;4-[7-(2-fluoroethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-(2-fluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-7-amine is sourced from PubChem (CID 158015660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).