1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C27H21N3O3S — CID 66661809

IUPAC1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(-c5ccc6sccc6c5)nc4)CC3)C2)c2ccncc21
InChIInChI=1S/C27H21N3O3S/c31-24-20-15-28-10-5-21(20)27(33-24)9-11-30(16-27)25(32)26(7-8-26)19-2-3-22(29-14-19)17-1-4-23-18(13-17)6-12-34-23/h1-6,10,12-15H,7-9,11,16H2
InChIKeySRZRKBMKJUVPHC-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.69
Rot. Bonds3

About 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661809) has the molecular formula C27H21N3O3S and a molecular weight of 467.55 g/mol. Its IUPAC name is 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661809
Molecular FormulaC27H21N3O3S
Molecular Weight467.55 g/mol
Exact Mass467.13
IUPAC Name1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(-c5ccc6sccc6c5)nc4)CC3)C2)c2ccncc21
InChIInChI=1S/C27H21N3O3S/c31-24-20-15-28-10-5-21(20)27(33-24)9-11-30(16-27)25(32)26(7-8-26)19-2-3-22(29-14-19)17-1-4-23-18(13-17)6-12-34-23/h1-6,10,12-15H,7-9,11,16H2
InChIKeySRZRKBMKJUVPHC-UHFFFAOYSA-N
XLogP4.69
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661809) is 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccc(-c5ccc6sccc6c5)nc4)CC3)C2)c2ccncc21.
What is the InChIKey of 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is SRZRKBMKJUVPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S/c31-24-20-15-28-10-5-21(20)27(33-24)9-11-30(16-27)25(32)26(7-8-26)19-2-3-22(29-14-19)17-1-4-23-18(13-17)6-12-34-23/h1-6,10,12-15H,7-9,11,16H2.
What are the key properties of 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 467.55 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).