carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C64H92N18O7 — CID 157129207

About carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 157129207) has the molecular formula C64H92N18O7 and a molecular weight of 1225.56 g/mol. Its IUPAC name is carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

• Compound Name: carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
• PubChem CID: 157129207
• Molecular Formula: C64H92N18O7
• Molecular Weight: 1225.56 g/mol
• Exact Mass: 1224.74
• IUPAC Name: carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
• SMILES: CC(C)c1cnn2c(NC3CCN(C(=O)c4ccc(NC(=O)/C=C/CN(C)C)cc4)CC3)nc(OC3CCN(C)CC3)nc12.CC(C)c1cnn2c(NC3CCNCC3)nc(OC3CCN(C)CC3)nc12.CN(C)C/C=C/C(=O)Nc1ccccc1.O=C=O
• InChI: InChI=1S/C32H45N9O3.C19H31N7O.C12H16N2O.CO2/c1-22(2)27-21-33-41-29(27)36-32(44-26-14-17-39(5)18-15-26)37-31(41)35-25-12-19-40(20-13-25)30(43)23-8-10-24(11-9-23)34-28(42)7-6-16-38(3)4;1-13(2)16-12-21-26-17(16)23-19(27-15-6-10-25(3)11-7-15)24-18(26)22-14-4-8-20-9-5-14;1-14(2)10-6-9-12(15)13-11-7-4-3-5-8-11;2-1-3/h6-11,21-22,25-26H,12-20H2,1-5H3,(H,34,42)(H,35,36,37);12-15,20H,4-11H2,1-3H3,(H,22,23,24);3-9H,10H2,1-2H3,(H,13,15);/b7-6+;;9-6+
• InChIKey: AIVZAOKXYZPDQT-HPJRQZJFSA-N
• XLogP: 6.54
• TPSA: 266.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.56
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?

The IUPAC name of carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 157129207) is carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

What is the SMILES notation for carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?

The canonical SMILES for carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NC3CCN(C(=O)c4ccc(NC(=O)/C=C/CN(C)C)cc4)CC3)nc(OC3CCN(C)CC3)nc12.CC(C)c1cnn2c(NC3CCNCC3)nc(OC3CCN(C)CC3)nc12.CN(C)C/C=C/C(=O)Nc1ccccc1.O=C=O.

What is the InChIKey of carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?

The InChIKey is AIVZAOKXYZPDQT-HPJRQZJFSA-N. The full InChI is InChI=1S/C32H45N9O3.C19H31N7O.C12H16N2O.CO2/c1-22(2)27-21-33-41-29(27)36-32(44-26-14-17-39(5)18-15-26)37-31(41)35-25-12-19-40(20-13-25)30(43)23-8-10-24(11-9-23)34-28(42)7-6-16-38(3)4;1-13(2)16-12-21-26-17(16)23-19(27-15-6-10-25(3)11-7-15)24-18(26)22-14-4-8-20-9-5-14;1-14(2)10-6-9-12(15)13-11-7-4-3-5-8-11;2-1-3/h6-11,21-22,25-26H,12-20H2,1-5H3,(H,34,42)(H,35,36,37);12-15,20H,4-11H2,1-3H3,(H,22,23,24);3-9H,10H2,1-2H3,(H,13,15);/b7-6+;;9-6+;.

What are the key properties of carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?

carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 1225.56 g/mol, XLogP of 6.54, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;(E)-4-(dimethylamino)-N-[4-[4-[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidine-1-carbonyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-phenylbut-2-enamide;2-(1-methylpiperidin-4-yl)oxy-N-piperidin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 157129207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).