(3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one

C22H21N5O2 — CID 163303115

IUPAC(3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one
SMILESCc1c(-c2cccc([C@]3(O)CCN(C)C3=O)c2)n[nH]c1-c1c[nH]c2ncccc12
InChIInChI=1S/C22H21N5O2/c1-13-18(25-26-19(13)17-12-24-20-16(17)7-4-9-23-20)14-5-3-6-15(11-14)22(29)8-10-27(2)21(22)28/h3-7,9,11-12,29H,8,10H2,1-2H3,(H,23,24)(H,25,26)/t22-/m1/s1
InChIKeyYTUQHSPLBLKFPY-JOCHJYFZSA-N
MW387.44 g/mol
LogP2.98
Rot. Bonds3

About (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one

(3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one (PubChem CID 163303115) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one
PubChem CID163303115
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name(3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one
SMILESCc1c(-c2cccc([C@]3(O)CCN(C)C3=O)c2)n[nH]c1-c1c[nH]c2ncccc12
InChIInChI=1S/C22H21N5O2/c1-13-18(25-26-19(13)17-12-24-20-16(17)7-4-9-23-20)14-5-3-6-15(11-14)22(29)8-10-27(2)21(22)28/h3-7,9,11-12,29H,8,10H2,1-2H3,(H,23,24)(H,25,26)/t22-/m1/s1
InChIKeyYTUQHSPLBLKFPY-JOCHJYFZSA-N
XLogP2.98
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one (CID 163303115) is (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one is Cc1c(-c2cccc([C@]3(O)CCN(C)C3=O)c2)n[nH]c1-c1c[nH]c2ncccc12.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one?
The InChIKey is YTUQHSPLBLKFPY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-18(25-26-19(13)17-12-24-20-16(17)7-4-9-23-20)14-5-3-6-15(11-14)22(29)8-10-27(2)21(22)28/h3-7,9,11-12,29H,8,10H2,1-2H3,(H,23,24)(H,25,26)/t22-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one?
(3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one has a molecular weight of 387.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3-[3-[4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazol-3-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 163303115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).