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

C14H15N3O4 — CID 155912039

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cn2ccccc2n1
InChIInChI=1S/C14H15N3O4/c18-10-7-21-12-9(6-20-13(10)12)16-14(19)8-5-17-4-2-1-3-11(17)15-8/h1-5,9-10,12-13,18H,6-7H2,(H,16,19)/t9-,10-,12-,13-/m1/s1
InChIKeyJUUWZRUIHXEWCT-FPQZTECRSA-N
MW289.29 g/mol
LogP-0.41
Rot. Bonds2

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]imidazo[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]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 155912039) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 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]imidazo[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]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID155912039
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cn2ccccc2n1
InChIInChI=1S/C14H15N3O4/c18-10-7-21-12-9(6-20-13(10)12)16-14(19)8-5-17-4-2-1-3-11(17)15-8/h1-5,9-10,12-13,18H,6-7H2,(H,16,19)/t9-,10-,12-,13-/m1/s1
InChIKeyJUUWZRUIHXEWCT-FPQZTECRSA-N
XLogP-0.41
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.41
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]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

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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]imidazo[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]imidazo[1,2-a]pyridine-2-carboxamide (CID 155912039) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]imidazo[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]imidazo[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]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cn2ccccc2n1.
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]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JUUWZRUIHXEWCT-FPQZTECRSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-10-7-21-12-9(6-20-13(10)12)16-14(19)8-5-17-4-2-1-3-11(17)15-8/h1-5,9-10,12-13,18H,6-7H2,(H,16,19)/t9-,10-,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]imidazo[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]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of -0.41, 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]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 155912039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).