2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

C23H34N2O2S — CID 126642762

IUPAC2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
SMILESCc1c([C@H](C)C2CCC(N3CC(OCC4CC4)C3)CC2)sc2c1C(=O)NCC2
InChIInChI=1S/C23H34N2O2S/c1-14(22-15(2)21-20(28-22)9-10-24-23(21)26)17-5-7-18(8-6-17)25-11-19(12-25)27-13-16-3-4-16/h14,16-19H,3-13H2,1-2H3,(H,24,26)/t14-,17?,18?/m1/s1
InChIKeyJIGWPHKJFJYYDK-RWBZWWBESA-N
MW402.60 g/mol
LogP4.12
Rot. Bonds6

About 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 126642762) has the molecular formula C23H34N2O2S and a molecular weight of 402.60 g/mol. Its IUPAC name is 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
PubChem CID126642762
Molecular FormulaC23H34N2O2S
Molecular Weight402.60 g/mol
Exact Mass402.23
IUPAC Name2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
SMILESCc1c([C@H](C)C2CCC(N3CC(OCC4CC4)C3)CC2)sc2c1C(=O)NCC2
InChIInChI=1S/C23H34N2O2S/c1-14(22-15(2)21-20(28-22)9-10-24-23(21)26)17-5-7-18(8-6-17)25-11-19(12-25)27-13-16-3-4-16/h14,16-19H,3-13H2,1-2H3,(H,24,26)/t14-,17?,18?/m1/s1
InChIKeyJIGWPHKJFJYYDK-RWBZWWBESA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one (CID 126642762) is 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one is Cc1c([C@H](C)C2CCC(N3CC(OCC4CC4)C3)CC2)sc2c1C(=O)NCC2.
What is the InChIKey of 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is JIGWPHKJFJYYDK-RWBZWWBESA-N. The full InChI is InChI=1S/C23H34N2O2S/c1-14(22-15(2)21-20(28-22)9-10-24-23(21)26)17-5-7-18(8-6-17)25-11-19(12-25)27-13-16-3-4-16/h14,16-19H,3-13H2,1-2H3,(H,24,26)/t14-,17?,18?/m1/s1.
What are the key properties of 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 402.60 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-[3-(cyclopropylmethoxy)azetidin-1-yl]cyclohexyl]ethyl]-3-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 126642762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).