(2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide

C19H23N5O4 — CID 56861095

IUPAC(2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide
SMILESCOc1nc2c(cc1CNC(=O)[C@@H](N)CO)C(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C19H23N5O4/c1-28-18-12(9-22-17(26)15(20)11-25)8-14-16(23-18)10-24(19(14)27)7-5-13-4-2-3-6-21-13/h2-4,6,8,15,25H,5,7,9-11,20H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyRJKLZYGJWGNZFL-HNNXBMFYSA-N
MW385.42 g/mol
LogP-0.38
Rot. Bonds8

About (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide

(2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide (PubChem CID 56861095) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide
PubChem CID56861095
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name(2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide
SMILESCOc1nc2c(cc1CNC(=O)[C@@H](N)CO)C(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C19H23N5O4/c1-28-18-12(9-22-17(26)15(20)11-25)8-14-16(23-18)10-24(19(14)27)7-5-13-4-2-3-6-21-13/h2-4,6,8,15,25H,5,7,9-11,20H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyRJKLZYGJWGNZFL-HNNXBMFYSA-N
XLogP-0.38
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide (CID 56861095) is (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide is COc1nc2c(cc1CNC(=O)[C@@H](N)CO)C(=O)N(CCc1ccccn1)C2.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide?
The InChIKey is RJKLZYGJWGNZFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-28-18-12(9-22-17(26)15(20)11-25)8-14-16(23-18)10-24(19(14)27)7-5-13-4-2-3-6-21-13/h2-4,6,8,15,25H,5,7,9-11,20H2,1H3,(H,22,26)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide?
(2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide has a molecular weight of 385.42 g/mol, XLogP of -0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propanamide is sourced from PubChem (CID 56861095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).