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

C16H17FN2O4 — CID 157016049

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-7-fluoro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)[nH]c2c(F)cccc12
InChIInChI=1S/C16H17FN2O4/c1-7-8-3-2-4-9(17)13(8)19-12(7)16(21)18-10-5-22-15-11(20)6-23-14(10)15/h2-4,10-11,14-15,19-20H,5-6H2,1H3,(H,18,21)/t10-,11-,14-,15-/m1/s1
InChIKeyNNWVAAIGMWMVJO-YIKOMLBNSA-N
MW320.32 g/mol
LogP0.87
Rot. Bonds2

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

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-7-fluoro-3-methyl-1H-indole-2-carboxamide (PubChem CID 157016049) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 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]-7-fluoro-3-methyl-1H-indole-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]-7-fluoro-3-methyl-1H-indole-2-carboxamide
PubChem CID157016049
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-7-fluoro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)[nH]c2c(F)cccc12
InChIInChI=1S/C16H17FN2O4/c1-7-8-3-2-4-9(17)13(8)19-12(7)16(21)18-10-5-22-15-11(20)6-23-14(10)15/h2-4,10-11,14-15,19-20H,5-6H2,1H3,(H,18,21)/t10-,11-,14-,15-/m1/s1
InChIKeyNNWVAAIGMWMVJO-YIKOMLBNSA-N
XLogP0.87
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-7-fluoro-3-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide
CID 91779136
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 146040309
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chloro-1H-indole-2-carboxamide
CID 156584209
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-4-methylbenzamide
CID 155912978
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,4,6-trimethylbenzamide
CID 155915781
7-fluoro-3-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 99932580
(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164696251
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
1-[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-methylsulfanylphenyl)urea
CID 162807850
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
N-[(3S,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 155913999
(7-fluoro-3-methyl-1H-indol-2-yl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 157018576

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]-7-fluoro-3-methyl-1H-indole-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]-7-fluoro-3-methyl-1H-indole-2-carboxamide (CID 157016049) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-7-fluoro-3-methyl-1H-indole-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]-7-fluoro-3-methyl-1H-indole-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]-7-fluoro-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)[nH]c2c(F)cccc12.
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]-7-fluoro-3-methyl-1H-indole-2-carboxamide?
The InChIKey is NNWVAAIGMWMVJO-YIKOMLBNSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-7-8-3-2-4-9(17)13(8)19-12(7)16(21)18-10-5-22-15-11(20)6-23-14(10)15/h2-4,10-11,14-15,19-20H,5-6H2,1H3,(H,18,21)/t10-,11-,14-,15-/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]-7-fluoro-3-methyl-1H-indole-2-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-7-fluoro-3-methyl-1H-indole-2-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 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]-7-fluoro-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 157016049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).