(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C20H21ClFN5O3 — CID 121484066

About (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484066) has the molecular formula C20H21ClFN5O3 and a molecular weight of 433.87 g/mol. Its IUPAC name is (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 121484066
• Molecular Formula: C20H21ClFN5O3
• Molecular Weight: 433.87 g/mol
• Exact Mass: 433.13
• IUPAC Name: (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: C[C@H]1Cn2ncc(N3CC4COCC4C3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
• InChI: InChI=1S/C20H21ClFN5O3/c1-11-6-27-18(8-25(11)20(29)24-13-2-3-16(22)15(21)4-13)17(5-23-27)26-7-12-9-30-10-14(12)19(26)28/h2-5,11-12,14H,6-10H2,1H3,(H,24,29)/t11-,12?,14?/m0/s1
• InChIKey: BZXRKYDOHKFPSW-DCBWTQNWSA-N
• XLogP: 2.72
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.87
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484066) is (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CC4COCC4C3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.

What is the InChIKey of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is BZXRKYDOHKFPSW-DCBWTQNWSA-N. The full InChI is InChI=1S/C20H21ClFN5O3/c1-11-6-27-18(8-25(11)20(29)24-13-2-3-16(22)15(21)4-13)17(5-23-27)26-7-12-9-30-10-14(12)19(26)28/h2-5,11-12,14H,6-10H2,1H3,(H,24,29)/t11-,12?,14?/m0/s1.

What are the key properties of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 433.87 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).