N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H19N3O4S — CID 146045900

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)c2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)sc21
InChIInChI=1S/C19H19N3O4S/c1-22-19-11(15(21-22)10-5-3-2-4-6-10)7-14(27-19)18(24)20-12-8-25-17-13(23)9-26-16(12)17/h2-7,12-13,16-17,23H,8-9H2,1H3,(H,20,24)/t12-,13-,16-,17-/m1/s1
InChIKeyVVTVTKLXFGXLIZ-BQGCOEIASA-N
MW385.45 g/mol
LogP1.56
Rot. Bonds3

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 146045900) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 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]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID146045900
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)c2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)sc21
InChIInChI=1S/C19H19N3O4S/c1-22-19-11(15(21-22)10-5-3-2-4-6-10)7-14(27-19)18(24)20-12-8-25-17-13(23)9-26-16(12)17/h2-7,12-13,16-17,23H,8-9H2,1H3,(H,20,24)/t12-,13-,16-,17-/m1/s1
InChIKeyVVTVTKLXFGXLIZ-BQGCOEIASA-N
XLogP1.56
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

N,1-dimethyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1484439
ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 59986498
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856266
1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 53212337
(3aS,6aS)-5-(1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146039206
(2S)-3-methyl-2-[[4-[4-[(1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]phenyl]sulfonylamino]butanoic acid
CID 11250273
N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 56522692
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 92661763
3-(4-chlorophenyl)-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 20858236
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3239255
N-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856247
3-(4-chlorophenyl)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 92662168

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]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-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]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 146045900) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-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]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-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]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)c2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)sc21.
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]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is VVTVTKLXFGXLIZ-BQGCOEIASA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-22-19-11(15(21-22)10-5-3-2-4-6-10)7-14(27-19)18(24)20-12-8-25-17-13(23)9-26-16(12)17/h2-7,12-13,16-17,23H,8-9H2,1H3,(H,20,24)/t12-,13-,16-,17-/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]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 146045900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).