(4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C22H23N5O3 — CID 118401378

IUPAC(4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc2[nH]cc(-c3cc4nn(C)cc4c(OC(C)[C@H]4CNC(=O)C4)n3)c2c1
InChIInChI=1S/C22H23N5O3/c1-12(13-6-21(28)24-9-13)30-22-17-11-27(2)26-20(17)8-19(25-22)16-10-23-18-5-4-14(29-3)7-15(16)18/h4-5,7-8,10-13,23H,6,9H2,1-3H3,(H,24,28)/t12?,13-/m1/s1
InChIKeyNJGAYUREXOTBGA-ZGTCLIOFSA-N
MW405.46 g/mol
LogP3.03
Rot. Bonds5

About (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401378) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401378
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name(4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc2[nH]cc(-c3cc4nn(C)cc4c(OC(C)[C@H]4CNC(=O)C4)n3)c2c1
InChIInChI=1S/C22H23N5O3/c1-12(13-6-21(28)24-9-13)30-22-17-11-27(2)26-20(17)8-19(25-22)16-10-23-18-5-4-14(29-3)7-15(16)18/h4-5,7-8,10-13,23H,6,9H2,1-3H3,(H,24,28)/t12?,13-/m1/s1
InChIKeyNJGAYUREXOTBGA-ZGTCLIOFSA-N
XLogP3.03
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401378) is (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1ccc2[nH]cc(-c3cc4nn(C)cc4c(OC(C)[C@H]4CNC(=O)C4)n3)c2c1.
What is the InChIKey of (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is NJGAYUREXOTBGA-ZGTCLIOFSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-12(13-6-21(28)24-9-13)30-22-17-11-27(2)26-20(17)8-19(25-22)16-10-23-18-5-4-14(29-3)7-15(16)18/h4-5,7-8,10-13,23H,6,9H2,1-3H3,(H,24,28)/t12?,13-/m1/s1.
What are the key properties of (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 405.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[6-(5-methoxy-1H-indol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).