N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide

C15H16FN3O4 — CID 156584883

IUPACN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@H]4O)c(F)n2c1
InChIInChI=1S/C15H16FN3O4/c1-7-2-3-10-18-11(14(16)19(10)4-7)15(21)17-8-5-22-13-9(20)6-23-12(8)13/h2-4,8-9,12-13,20H,5-6H2,1H3,(H,17,21)/t8-,9+,12+,13+/m0/s1
InChIKeyKEHNVCRRVKRKOS-HIAZDOBYSA-N
MW321.31 g/mol
LogP0.04
Rot. Bonds2

About N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 156584883) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID156584883
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@H]4O)c(F)n2c1
InChIInChI=1S/C15H16FN3O4/c1-7-2-3-10-18-11(14(16)19(10)4-7)15(21)17-8-5-22-13-9(20)6-23-12(8)13/h2-4,8-9,12-13,20H,5-6H2,1H3,(H,17,21)/t8-,9+,12+,13+/m0/s1
InChIKeyKEHNVCRRVKRKOS-HIAZDOBYSA-N
XLogP0.04
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-pyridin-4-yl-1H-purin-6-one
CID 136504287
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-pyridin-3-yl-1H-purin-6-one
CID 136504288
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 110125283
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 110125681
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110156778
2-[(3-Pyridyl)pyrrolidin-1-yl]-2'-deoxyinosine
CID 136601970
2-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-pyridin-3-yl-1H-purin-6-one
CID 136346517
1,5-anhydro-2,4-dideoxy-2-{[(2-methylimidazo[1,2-a]pyridin-3-yl)carbonyl]amino}-D-threo-pentitol
CID 91771661
N-(3-azepan-1-yl-2-hydroxypropyl)-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 118787258
N-[rac-(3S,4R)-4-ethoxytetrahydrofuran-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 119059434
N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 131891298
(8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl)((1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl)methanone
CID 118378989

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 156584883) is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccc2nc(C(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@H]4O)c(F)n2c1.
What is the InChIKey of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KEHNVCRRVKRKOS-HIAZDOBYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c1-7-2-3-10-18-11(14(16)19(10)4-7)15(21)17-8-5-22-13-9(20)6-23-12(8)13/h2-4,8-9,12-13,20H,5-6H2,1H3,(H,17,21)/t8-,9+,12+,13+/m0/s1.
What are the key properties of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 156584883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).