3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide

C19H29N3O3 — CID 99758090

IUPAC3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide
SMILESCOCCN1C(=O)c2cccn2C[C@@H]1CNC(=O)CCC1CCCC1
InChIInChI=1S/C19H29N3O3/c1-25-12-11-22-16(14-21-10-4-7-17(21)19(22)24)13-20-18(23)9-8-15-5-2-3-6-15/h4,7,10,15-16H,2-3,5-6,8-9,11-14H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyVDQOBVXDHXINQE-INIZCTEOSA-N
MW347.46 g/mol
LogP2.05
Rot. Bonds8

About 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide

3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide (PubChem CID 99758090) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide
PubChem CID99758090
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide
SMILESCOCCN1C(=O)c2cccn2C[C@@H]1CNC(=O)CCC1CCCC1
InChIInChI=1S/C19H29N3O3/c1-25-12-11-22-16(14-21-10-4-7-17(21)19(22)24)13-20-18(23)9-8-15-5-2-3-6-15/h4,7,10,15-16H,2-3,5-6,8-9,11-14H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyVDQOBVXDHXINQE-INIZCTEOSA-N
XLogP2.05
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide 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 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide (CID 99758090) is 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide is COCCN1C(=O)c2cccn2C[C@@H]1CNC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide?
The InChIKey is VDQOBVXDHXINQE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-25-12-11-22-16(14-21-10-4-7-17(21)19(22)24)13-20-18(23)9-8-15-5-2-3-6-15/h4,7,10,15-16H,2-3,5-6,8-9,11-14H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide?
3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[(3S)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide is sourced from PubChem (CID 99758090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).