(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone

C16H15FN2OS — CID 115646256

IUPAC(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCc2sccc2C1C1CC1
InChIInChI=1S/C16H15FN2OS/c17-13-9-18-6-3-11(13)16(20)19-7-4-14-12(5-8-21-14)15(19)10-1-2-10/h3,5-6,8-10,15H,1-2,4,7H2
InChIKeyLJDCWBUGZWPCPB-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.43
Rot. Bonds2

About (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone

(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 115646256) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID115646256
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCc2sccc2C1C1CC1
InChIInChI=1S/C16H15FN2OS/c17-13-9-18-6-3-11(13)16(20)19-7-4-14-12(5-8-21-14)15(19)10-1-2-10/h3,5-6,8-10,15H,1-2,4,7H2
InChIKeyLJDCWBUGZWPCPB-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone (CID 115646256) is (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)N1CCc2sccc2C1C1CC1.
What is the InChIKey of (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is LJDCWBUGZWPCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c17-13-9-18-6-3-11(13)16(20)19-7-4-14-12(5-8-21-14)15(19)10-1-2-10/h3,5-6,8-10,15H,1-2,4,7H2.
What are the key properties of (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone?
(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 302.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 115646256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).