N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane

C41H62FN9O7 — CID 143031619

About N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane

N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane (PubChem CID 143031619) has the molecular formula C41H62FN9O7 and a molecular weight of 812.00 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane
• PubChem CID: 143031619
• Molecular Formula: C41H62FN9O7
• Molecular Weight: 812.00 g/mol
• Exact Mass: 811.48
• IUPAC Name: N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane
• SMILES: CC.CC.CCCC(NC(=O)[C@H]1C[C@H](Oc2ncncc2F)CN1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
• InChI: InChI=1S/C37H50FN9O7.2C2H6/c1-5-9-25(29(48)34(52)43-22-12-13-22)44-32(50)27-16-23(54-35-24(38)17-40-20-42-35)19-47(27)36(53)30(37(2,3)4)46-33(51)28(21-10-7-6-8-11-21)45-31(49)26-18-39-14-15-41-26;2*1-2/h14-15,17-18,20-23,25,27-28,30H,5-13,16,19H2,1-4H3,(H,43,52)(H,44,50)(H,45,49)(H,46,51);2*1-2H3/t23-,25?,27+,28?,30?;;/m0../s1
• InChIKey: ZXCSOIWSXFFXRG-SSIKZQMSSA-N
• XLogP: 3.85
• TPSA: 214.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.00
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane?

The IUPAC name of N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane (CID 143031619) is N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane.

What is the SMILES notation for N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane?

The canonical SMILES for N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane is CC.CC.CCCC(NC(=O)[C@H]1C[C@H](Oc2ncncc2F)CN1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1.

What is the InChIKey of N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane?

The InChIKey is ZXCSOIWSXFFXRG-SSIKZQMSSA-N. The full InChI is InChI=1S/C37H50FN9O7.2C2H6/c1-5-9-25(29(48)34(52)43-22-12-13-22)44-32(50)27-16-23(54-35-24(38)17-40-20-42-35)19-47(27)36(53)30(37(2,3)4)46-33(51)28(21-10-7-6-8-11-21)45-31(49)26-18-39-14-15-41-26;2*1-2/h14-15,17-18,20-23,25,27-28,30H,5-13,16,19H2,1-4H3,(H,43,52)(H,44,50)(H,45,49)(H,46,51);2*1-2H3/t23-,25?,27+,28?,30?;;/m0../s1.

What are the key properties of N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane?

N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane has a molecular weight of 812.00 g/mol, XLogP of 3.85, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-2-[[1-[(2R,4S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane is sourced from PubChem (CID 143031619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).