5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile

C18H21F4N3S — CID 150377748

IUPAC5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCC2CC(F)(F)C2)sc2c1CN(CC1CC(F)(F)C1)CC2
InChIInChI=1S/C18H21F4N3S/c19-17(20)3-11(4-17)8-24-16-13(7-23)14-10-25(2-1-15(14)26-16)9-12-5-18(21,22)6-12/h11-12,24H,1-6,8-10H2
InChIKeyGZBILWYQYDWYCP-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.48
Rot. Bonds5

About 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile

5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 150377748) has the molecular formula C18H21F4N3S and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
PubChem CID150377748
Molecular FormulaC18H21F4N3S
Molecular Weight387.45 g/mol
Exact Mass387.14
IUPAC Name5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCC2CC(F)(F)C2)sc2c1CN(CC1CC(F)(F)C1)CC2
InChIInChI=1S/C18H21F4N3S/c19-17(20)3-11(4-17)8-24-16-13(7-23)14-10-25(2-1-15(14)26-16)9-12-5-18(21,22)6-12/h11-12,24H,1-6,8-10H2
InChIKeyGZBILWYQYDWYCP-UHFFFAOYSA-N
XLogP4.48
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (CID 150377748) is 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is N#Cc1c(NCC2CC(F)(F)C2)sc2c1CN(CC1CC(F)(F)C1)CC2.
What is the InChIKey of 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is GZBILWYQYDWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N3S/c19-17(20)3-11(4-17)8-24-16-13(7-23)14-10-25(2-1-15(14)26-16)9-12-5-18(21,22)6-12/h11-12,24H,1-6,8-10H2.
What are the key properties of 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 387.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclobutyl)methyl]-2-[(3,3-difluorocyclobutyl)methylamino]-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 150377748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).