(4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C23H27N5O4S — CID 118401283

IUPAC(4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1N1CCCS1(=O)=O
InChIInChI=1S/C23H27N5O4S/c1-14-9-16(5-6-21(14)28-7-4-8-33(28,30)31)19-11-20-18(13-27(3)26-20)23(25-19)32-15(2)17-10-22(29)24-12-17/h5-6,9,11,13,15,17H,4,7-8,10,12H2,1-3H3,(H,24,29)/t15-,17-/m1/s1
InChIKeyFMGUYFLFPAEZBU-NVXWUHKLSA-N
MW469.57 g/mol
LogP2.39
Rot. Bonds5

About (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401283) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401283
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name(4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1N1CCCS1(=O)=O
InChIInChI=1S/C23H27N5O4S/c1-14-9-16(5-6-21(14)28-7-4-8-33(28,30)31)19-11-20-18(13-27(3)26-20)23(25-19)32-15(2)17-10-22(29)24-12-17/h5-6,9,11,13,15,17H,4,7-8,10,12H2,1-3H3,(H,24,29)/t15-,17-/m1/s1
InChIKeyFMGUYFLFPAEZBU-NVXWUHKLSA-N
XLogP2.39
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401283) is (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is Cc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1N1CCCS1(=O)=O.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is FMGUYFLFPAEZBU-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-14-9-16(5-6-21(14)28-7-4-8-33(28,30)31)19-11-20-18(13-27(3)26-20)23(25-19)32-15(2)17-10-22(29)24-12-17/h5-6,9,11,13,15,17H,4,7-8,10,12H2,1-3H3,(H,24,29)/t15-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 469.57 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).