(6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C24H28F2N6O4 — CID 163599843

About (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 163599843) has the molecular formula C24H28F2N6O4 and a molecular weight of 502.52 g/mol. Its IUPAC name is (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 163599843
• Molecular Formula: C24H28F2N6O4
• Molecular Weight: 502.52 g/mol
• Exact Mass: 502.21
• IUPAC Name: (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: Cc1c(F)cc(NC(=O)N2Cc3c(N4CC(C(=O)N5CCOCC5)CC4=O)cnn3C[C@@H]2C)cc1F
• InChI: InChI=1S/C24H28F2N6O4/c1-14-11-32-21(13-30(14)24(35)28-17-8-18(25)15(2)19(26)9-17)20(10-27-32)31-12-16(7-22(31)33)23(34)29-3-5-36-6-4-29/h8-10,14,16H,3-7,11-13H2,1-2H3,(H,28,35)/t14-,16?/m0/s1
• InChIKey: GWRISKWDXWSXSL-LBAUFKAWSA-N
• XLogP: 2.12
• TPSA: 100.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.52
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 163599843) is (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is Cc1c(F)cc(NC(=O)N2Cc3c(N4CC(C(=O)N5CCOCC5)CC4=O)cnn3C[C@@H]2C)cc1F.

What is the InChIKey of (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is GWRISKWDXWSXSL-LBAUFKAWSA-N. The full InChI is InChI=1S/C24H28F2N6O4/c1-14-11-32-21(13-30(14)24(35)28-17-8-18(25)15(2)19(26)9-17)20(10-27-32)31-12-16(7-22(31)33)23(34)29-3-5-36-6-4-29/h8-10,14,16H,3-7,11-13H2,1-2H3,(H,28,35)/t14-,16?/m0/s1.

What are the key properties of (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

(6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 502.52 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 163599843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).