1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one

C32H47ClN6O4S — CID 59780628

IUPAC1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(CCCN4CCOCC4)c3)nn2CCCN2CCC(N3CCCC3=O)CC2)C1
InChIInChI=1S/C32H47ClN6O4S/c1-44(41,42)37-18-11-30-28(24-37)32(26-7-8-29(33)25(23-26)5-2-12-36-19-21-43-22-20-36)34-39(30)15-4-13-35-16-9-27(10-17-35)38-14-3-6-31(38)40/h7-8,23,27H,2-6,9-22,24H2,1H3
InChIKeyBUZQFRLBVRQDMC-UHFFFAOYSA-N
MW647.29 g/mol
LogP3.26
Rot. Bonds11

About 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 59780628) has the molecular formula C32H47ClN6O4S and a molecular weight of 647.29 g/mol. Its IUPAC name is 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID59780628
Molecular FormulaC32H47ClN6O4S
Molecular Weight647.29 g/mol
Exact Mass646.31
IUPAC Name1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(CCCN4CCOCC4)c3)nn2CCCN2CCC(N3CCCC3=O)CC2)C1
InChIInChI=1S/C32H47ClN6O4S/c1-44(41,42)37-18-11-30-28(24-37)32(26-7-8-29(33)25(23-26)5-2-12-36-19-21-43-22-20-36)34-39(30)15-4-13-35-16-9-27(10-17-35)38-14-3-6-31(38)40/h7-8,23,27H,2-6,9-22,24H2,1H3
InChIKeyBUZQFRLBVRQDMC-UHFFFAOYSA-N
XLogP3.26
TPSA91.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one (CID 59780628) is 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one is CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(CCCN4CCOCC4)c3)nn2CCCN2CCC(N3CCCC3=O)CC2)C1.
What is the InChIKey of 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is BUZQFRLBVRQDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47ClN6O4S/c1-44(41,42)37-18-11-30-28(24-37)32(26-7-8-29(33)25(23-26)5-2-12-36-19-21-43-22-20-36)34-39(30)15-4-13-35-16-9-27(10-17-35)38-14-3-6-31(38)40/h7-8,23,27H,2-6,9-22,24H2,1H3.
What are the key properties of 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 647.29 g/mol, XLogP of 3.26, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[3-[4-chloro-3-(3-morpholin-4-ylpropyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 59780628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).