(2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide

C17H23N5O2 — CID 124757250

IUPAC(2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide
SMILESCCn1nc(CO)c2c1CCN([C@@H](C)C(=O)Nc1ccccn1)C2
InChIInChI=1S/C17H23N5O2/c1-3-22-15-7-9-21(10-13(15)14(11-23)20-22)12(2)17(24)19-16-6-4-5-8-18-16/h4-6,8,12,23H,3,7,9-11H2,1-2H3,(H,18,19,24)/t12-/m0/s1
InChIKeyVYRMVUVEICWUOV-LBPRGKRZSA-N
MW329.40 g/mol
LogP1.18
Rot. Bonds5

About (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide

(2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide (PubChem CID 124757250) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide
PubChem CID124757250
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide
SMILESCCn1nc(CO)c2c1CCN([C@@H](C)C(=O)Nc1ccccn1)C2
InChIInChI=1S/C17H23N5O2/c1-3-22-15-7-9-21(10-13(15)14(11-23)20-22)12(2)17(24)19-16-6-4-5-8-18-16/h4-6,8,12,23H,3,7,9-11H2,1-2H3,(H,18,19,24)/t12-/m0/s1
InChIKeyVYRMVUVEICWUOV-LBPRGKRZSA-N
XLogP1.18
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide 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 (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide (CID 124757250) is (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide is CCn1nc(CO)c2c1CCN([C@@H](C)C(=O)Nc1ccccn1)C2.
What is the InChIKey of (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is VYRMVUVEICWUOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-22-15-7-9-21(10-13(15)14(11-23)20-22)12(2)17(24)19-16-6-4-5-8-18-16/h4-6,8,12,23H,3,7,9-11H2,1-2H3,(H,18,19,24)/t12-/m0/s1.
What are the key properties of (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide?
(2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 124757250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).