acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine

C32H46FN5O3 — CID 164865025

About acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine

acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine (PubChem CID 164865025) has the molecular formula C32H46FN5O3 and a molecular weight of 567.75 g/mol. Its IUPAC name is acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine.

Molecular Properties

• Compound Name: acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine
• PubChem CID: 164865025
• Molecular Formula: C32H46FN5O3
• Molecular Weight: 567.75 g/mol
• Exact Mass: 567.36
• IUPAC Name: acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine
• SMILES: C#C.CC.COC(C)(C)C[C@H](NC(=O)C1C[C@@H]1CN1C(=O)CC(C)(C)N=C1N)c1ccccc1F.c1ccncc1
• InChI: InChI=1S/C23H33FN4O3.C5H5N.C2H6.C2H2/c1-22(2)12-19(29)28(21(25)27-22)13-14-10-16(14)20(30)26-18(11-23(3,4)31-5)15-8-6-7-9-17(15)24;1-2-4-6-5-3-1;2*1-2/h6-9,14,16,18H,10-13H2,1-5H3,(H2,25,27)(H,26,30);1-5H;1-2H3;1-2H/t14-,16?,18+;;;/m1.../s1
• InChIKey: QYOFJLZRPVPJCZ-NDWABYROSA-N
• XLogP: 5.12
• TPSA: 109.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.75
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine?

The IUPAC name of acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine (CID 164865025) is acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine.

What is the SMILES notation for acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine?

The canonical SMILES for acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine is C#C.CC.COC(C)(C)C[C@H](NC(=O)C1C[C@@H]1CN1C(=O)CC(C)(C)N=C1N)c1ccccc1F.c1ccncc1.

What is the InChIKey of acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine?

The InChIKey is QYOFJLZRPVPJCZ-NDWABYROSA-N. The full InChI is InChI=1S/C23H33FN4O3.C5H5N.C2H6.C2H2/c1-22(2)12-19(29)28(21(25)27-22)13-14-10-16(14)20(30)26-18(11-23(3,4)31-5)15-8-6-7-9-17(15)24;1-2-4-6-5-3-1;2*1-2/h6-9,14,16,18H,10-13H2,1-5H3,(H2,25,27)(H,26,30);1-5H;1-2H3;1-2H/t14-,16?,18+;;;/m1.../s1.

What are the key properties of acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine?

acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine has a molecular weight of 567.75 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine is sourced from PubChem (CID 164865025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).