4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C24H29N3O4S — CID 163960816

IUPAC4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOC1CCC(Oc2ccc(S3(=O)=NCCC3)cc2-c2cn(C)c(=O)c3[nH]ccc23)CC1
InChIInChI=1S/C24H29N3O4S/c1-27-15-21(19-10-12-25-23(19)24(27)28)20-14-18(32(29)13-3-11-26-32)8-9-22(20)31-17-6-4-16(30-2)5-7-17/h8-10,12,14-17,25H,3-7,11,13H2,1-2H3
InChIKeySHGNPWFPXPJCQV-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.10
Rot. Bonds5

About 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 163960816) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID163960816
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOC1CCC(Oc2ccc(S3(=O)=NCCC3)cc2-c2cn(C)c(=O)c3[nH]ccc23)CC1
InChIInChI=1S/C24H29N3O4S/c1-27-15-21(19-10-12-25-23(19)24(27)28)20-14-18(32(29)13-3-11-26-32)8-9-22(20)31-17-6-4-16(30-2)5-7-17/h8-10,12,14-17,25H,3-7,11,13H2,1-2H3
InChIKeySHGNPWFPXPJCQV-UHFFFAOYSA-N
XLogP4.10
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 163960816) is 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is COC1CCC(Oc2ccc(S3(=O)=NCCC3)cc2-c2cn(C)c(=O)c3[nH]ccc23)CC1.
What is the InChIKey of 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is SHGNPWFPXPJCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-27-15-21(19-10-12-25-23(19)24(27)28)20-14-18(32(29)13-3-11-26-32)8-9-22(20)31-17-6-4-16(30-2)5-7-17/h8-10,12,14-17,25H,3-7,11,13H2,1-2H3.
What are the key properties of 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 455.58 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxycyclohexyl)oxy-5-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163960816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).