4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine

C21H25FN4O4S — CID 170616500

IUPAC4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine
SMILESCOc1cc2ncc(-c3ccc(N4CCOCC4)nc3F)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C21H25FN4O4S/c1-21(2,3)31(27,28)17-13-26-15(12-23-19(26)11-16(17)29-4)14-5-6-18(24-20(14)22)25-7-9-30-10-8-25/h5-6,11-13H,7-10H2,1-4H3
InChIKeyIPSSERRSGYUKHH-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.95
Rot. Bonds4

About 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine

4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine (PubChem CID 170616500) has the molecular formula C21H25FN4O4S and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine
PubChem CID170616500
Molecular FormulaC21H25FN4O4S
Molecular Weight448.52 g/mol
Exact Mass448.16
IUPAC Name4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine
SMILESCOc1cc2ncc(-c3ccc(N4CCOCC4)nc3F)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C21H25FN4O4S/c1-21(2,3)31(27,28)17-13-26-15(12-23-19(26)11-16(17)29-4)14-5-6-18(24-20(14)22)25-7-9-30-10-8-25/h5-6,11-13H,7-10H2,1-4H3
InChIKeyIPSSERRSGYUKHH-UHFFFAOYSA-N
XLogP2.95
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide
CID 178093984
7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 172631885
6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine
CID 172631776
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
2-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-7-methoxyindazol-1-yl]ethanol
CID 172631901
methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977
3-[3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-fluoro-4-methoxyphenyl]-6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridine
CID 172631546
2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol
CID 178094082
6-tert-butylsulfonyl-7-methoxy-3-[3-(sulfinoamino)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 170616439
6-tert-butylsulfonyl-7-methoxy-3-[3-(sulfinatoamino)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 170616438
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline
CID 170616408

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine (CID 170616500) is 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine is COc1cc2ncc(-c3ccc(N4CCOCC4)nc3F)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine?
The InChIKey is IPSSERRSGYUKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4S/c1-21(2,3)31(27,28)17-13-26-15(12-23-19(26)11-16(17)29-4)14-5-6-18(24-20(14)22)25-7-9-30-10-8-25/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine?
4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine has a molecular weight of 448.52 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine is sourced from PubChem (CID 170616500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).