(6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C18H25N5O5 — CID 146192944

About (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

(6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 146192944) has the molecular formula C18H25N5O5 and a molecular weight of 391.43 g/mol. Its IUPAC name is (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

• Compound Name: (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
• PubChem CID: 146192944
• Molecular Formula: C18H25N5O5
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.19
• IUPAC Name: (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
• SMILES: COC(=O)[C@@H]1CCCN1C1CC(=O)N(c2cnn3c2CN(C(=O)O)[C@@H](C)C3)C1
• InChI: InChI=1S/C18H25N5O5/c1-11-8-23-15(10-21(11)18(26)27)14(7-19-23)22-9-12(6-16(22)24)20-5-3-4-13(20)17(25)28-2/h7,11-13H,3-6,8-10H2,1-2H3,(H,26,27)/t11-,12?,13-/m0/s1
• InChIKey: VFWMLJFVUANUFB-RXTYADHFSA-N
• XLogP: 0.51
• TPSA: 108.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?

The IUPAC name of (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 146192944) is (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

What is the SMILES notation for (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?

The canonical SMILES for (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is COC(=O)[C@@H]1CCCN1C1CC(=O)N(c2cnn3c2CN(C(=O)O)[C@@H](C)C3)C1.

What is the InChIKey of (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?

The InChIKey is VFWMLJFVUANUFB-RXTYADHFSA-N. The full InChI is InChI=1S/C18H25N5O5/c1-11-8-23-15(10-21(11)18(26)27)14(7-19-23)22-9-12(6-16(22)24)20-5-3-4-13(20)17(25)28-2/h7,11-13H,3-6,8-10H2,1-2H3,(H,26,27)/t11-,12?,13-/m0/s1.

What are the key properties of (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?

(6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 391.43 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 146192944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).