N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide

C15H16FN3O4 — CID 155918078

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2c(F)c(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)nc2c1
InChIInChI=1S/C15H16FN3O4/c1-7-2-3-19-10(4-7)18-11(14(19)16)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-/m1/s1
InChIKeyNTRNBPFGVRXAKC-NRMKKVEVSA-N
MW321.31 g/mol
LogP0.04
Rot. Bonds2

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 155918078) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID155918078
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2c(F)c(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)nc2c1
InChIInChI=1S/C15H16FN3O4/c1-7-2-3-19-10(4-7)18-11(14(19)16)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-/m1/s1
InChIKeyNTRNBPFGVRXAKC-NRMKKVEVSA-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-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-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
[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
CID 164890237
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
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
2-(4-fluorophenyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987724
N-(6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 141401818

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 155918078) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2c(F)c(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)nc2c1.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NTRNBPFGVRXAKC-NRMKKVEVSA-N. The full InChI is InChI=1S/C15H16FN3O4/c1-7-2-3-19-10(4-7)18-11(14(19)16)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-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-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-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 155918078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).