(4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C18H20N4O2S — CID 118401284

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)s1
InChIInChI=1S/C18H20N4O2S/c1-10-4-5-16(25-10)15-7-14-13(9-22(3)21-14)18(20-15)24-11(2)12-6-17(23)19-8-12/h4-5,7,9,11-12H,6,8H2,1-3H3,(H,19,23)/t11-,12-/m1/s1
InChIKeyQBFSYMFIIHWPEL-VXGBXAGGSA-N
MW356.45 g/mol
LogP2.91
Rot. Bonds4

About (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401284) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401284
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)s1
InChIInChI=1S/C18H20N4O2S/c1-10-4-5-16(25-10)15-7-14-13(9-22(3)21-14)18(20-15)24-11(2)12-6-17(23)19-8-12/h4-5,7,9,11-12H,6,8H2,1-3H3,(H,19,23)/t11-,12-/m1/s1
InChIKeyQBFSYMFIIHWPEL-VXGBXAGGSA-N
XLogP2.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401284) is (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is Cc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)s1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is QBFSYMFIIHWPEL-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-10-4-5-16(25-10)15-7-14-13(9-22(3)21-14)18(20-15)24-11(2)12-6-17(23)19-8-12/h4-5,7,9,11-12H,6,8H2,1-3H3,(H,19,23)/t11-,12-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 356.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).