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Mvix

C26H39N5O5S — CID 122173814

💊View drug profile → mirodenafil

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-4a,7a-dihydro-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1C1=NC2C(CCC)=CN(CC)C2C(=O)N1
InChIInChI=1S/C26H39N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,23-24,32H,4-7,10-16H2,1-3H3,(H,27,28,33)
InChIKeyYIEAVVIJPFEHCX-UHFFFAOYSA-N
MW533.70 g/mol
LogP1.41
Rot. Bonds11

About Mvix

Mvix (PubChem CID 122173814) has the molecular formula C26H39N5O5S and a molecular weight of 533.70 g/mol. Its IUPAC name is 5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-4a,7a-dihydro-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound NameMvix
PubChem CID122173814
Molecular FormulaC26H39N5O5S
Molecular Weight533.70 g/mol
Exact Mass533.27
IUPAC Name5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-4a,7a-dihydro-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1C1=NC2C(CCC)=CN(CC)C2C(=O)N1
InChIInChI=1S/C26H39N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,23-24,32H,4-7,10-16H2,1-3H3,(H,27,28,33)
InChIKeyYIEAVVIJPFEHCX-UHFFFAOYSA-N
XLogP1.41
TPSA114.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.70
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-Ethyl-5-Fluoro-2-{5-[(4-Methylpiperazin-1-Yl)sulfonyl]-2-Propoxyphenyl}pyrimidin-4(3h)-One
CID 135566574
5,6-Diethyl-2-{5-[(4-Methylpiperazin-1-Yl)sulfonyl]-2-Propoxyphenyl}pyrimidin-4(3h)-One
CID 135566745
6-Ethyl-5-Iodo-2-{5-[(4-Methylpiperazin-1-Yl)sulfonyl]-2-Propoxyphenyl}pyrimidin-4(3h)-One
CID 135566906
6-Ethyl-2-{5-[(4-Methylpiperazin-1-Yl)sulfonyl]-2-Propoxyphenyl}pyrimidin-4(3h)-One
CID 135566907
3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)-4-propoxybenzenesulfonamide
CID 135890178
(2S)-1-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 137051684

Frequently Asked Questions

What is the IUPAC name of Mvix?
The IUPAC name of Mvix (CID 122173814) is 5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-4a,7a-dihydro-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for Mvix?
The canonical SMILES for Mvix is CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1C1=NC2C(CCC)=CN(CC)C2C(=O)N1.
What is the InChIKey of Mvix?
The InChIKey is YIEAVVIJPFEHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,23-24,32H,4-7,10-16H2,1-3H3,(H,27,28,33).
What are the key properties of Mvix?
Mvix has a molecular weight of 533.70 g/mol, XLogP of 1.41, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Mvix is sourced from PubChem (CID 122173814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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