4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C17H20N6O2S — CID 164926873

IUPAC4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCS(=O)c1ncc(Nc2ccc(N3CCNCC3)cn2)c2c1CNC2=O
InChIInChI=1S/C17H20N6O2S/c1-26(25)17-12-9-20-16(24)15(12)13(10-21-17)22-14-3-2-11(8-19-14)23-6-4-18-5-7-23/h2-3,8,10,18H,4-7,9H2,1H3,(H,19,22)(H,20,24)
InChIKeyZGSQYSXNQWDQDV-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.61
Rot. Bonds4

About 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 164926873) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID164926873
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCS(=O)c1ncc(Nc2ccc(N3CCNCC3)cn2)c2c1CNC2=O
InChIInChI=1S/C17H20N6O2S/c1-26(25)17-12-9-20-16(24)15(12)13(10-21-17)22-14-3-2-11(8-19-14)23-6-4-18-5-7-23/h2-3,8,10,18H,4-7,9H2,1H3,(H,19,22)(H,20,24)
InChIKeyZGSQYSXNQWDQDV-UHFFFAOYSA-N
XLogP0.61
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide
CID 164926987
4-phenyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926630
4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926724
4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926773
7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyridin-4-yl-2,3-dihydroisoindol-1-one
CID 164926820
4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926626
4-(2,3-dimethylimidazol-4-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one
CID 164927100
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
CID 164927049
4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-piperidin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156651725
4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 164926878
4-imidazo[1,2-a]pyridin-3-yl-7-[(5-piperidin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;propan-2-ol
CID 156652086
ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 156652075

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 164926873) is 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CS(=O)c1ncc(Nc2ccc(N3CCNCC3)cn2)c2c1CNC2=O.
What is the InChIKey of 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ZGSQYSXNQWDQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-26(25)17-12-9-20-16(24)15(12)13(10-21-17)22-14-3-2-11(8-19-14)23-6-4-18-5-7-23/h2-3,8,10,18H,4-7,9H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 372.45 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 164926873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).