4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one

C18H20N2O2S — CID 131992685

IUPAC4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1c2c(ccnc2OC2CCCCC2)CN1Cc1cccs1
InChIInChI=1S/C18H20N2O2S/c21-18-16-13(11-20(18)12-15-7-4-10-23-15)8-9-19-17(16)22-14-5-2-1-3-6-14/h4,7-10,14H,1-3,5-6,11-12H2
InChIKeyMGFSIASBCNKAGP-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.01
Rot. Bonds4

About 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one

4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 131992685) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID131992685
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1c2c(ccnc2OC2CCCCC2)CN1Cc1cccs1
InChIInChI=1S/C18H20N2O2S/c21-18-16-13(11-20(18)12-15-7-4-10-23-15)8-9-19-17(16)22-14-5-2-1-3-6-14/h4,7-10,14H,1-3,5-6,11-12H2
InChIKeyMGFSIASBCNKAGP-UHFFFAOYSA-N
XLogP4.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one (CID 131992685) is 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one is O=C1c2c(ccnc2OC2CCCCC2)CN1Cc1cccs1.
What is the InChIKey of 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is MGFSIASBCNKAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18-16-13(11-20(18)12-15-7-4-10-23-15)8-9-19-17(16)22-14-5-2-1-3-6-14/h4,7-10,14H,1-3,5-6,11-12H2.
What are the key properties of 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one?
4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 328.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 131992685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).