4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine

C76H92I2N19O8V- — CID 157202108

About 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine

4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine (PubChem CID 157202108) has the molecular formula C76H92I2N19O8V- and a molecular weight of 1704.45 g/mol. Its IUPAC name is 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine.

Molecular Properties

• Compound Name: 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine
• PubChem CID: 157202108
• Molecular Formula: C76H92I2N19O8V-
• Molecular Weight: 1704.45 g/mol
• Exact Mass: 1703.49
• IUPAC Name: 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine
• SMILES: CC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Cc3ccc(C(=O)O)cc3)c21.CCOC(=O)c1ccc(CC(=O)c2[nH]nc3c2C(C)(C)Cc2cnc(N)nc2-3)cc1.CN1CCC(CC(=O)c2ccc(NC(=O)c3[nH]nc4c3C(C)(C)Cc3cnc(N)nc3-4)cc2)CC1.CN1CCC(N)CC1.I[V]I.[CH2-]C
• InChI: InChI=1S/C26H31N7O2.C22H23N5O3.C20H19N5O3.C6H14N2.C2H5.2HI.V/c1-26(2)13-17-14-28-25(27)30-21(17)22-20(26)23(32-31-22)24(35)29-18-6-4-16(5-7-18)19(34)12-15-8-10-33(3)11-9-15;1-4-30-20(29)13-7-5-12(6-8-13)9-15(28)18-16-19(27-26-18)17-14(10-22(16,2)3)11-24-21(23)25-17;1-20(2)8-12-9-22-19(21)23-15(12)17-14(20)16(24-25-17)13(26)7-10-3-5-11(6-4-10)18(27)28;1-8-4-2-6(7)3-5-8;1-2;;;/h4-7,14-15H,8-13H2,1-3H3,(H,29,35)(H,31,32)(H2,27,28,30);5-8,11H,4,9-10H2,1-3H3,(H,26,27)(H2,23,24,25);3-6,9H,7-8H2,1-2H3,(H,24,25)(H,27,28)(H2,21,22,23);6H,2-5,7H2,1H3;1H2,2H3;2*1H;/q;;;;-1;;;+2/p-2
• InChIKey: MTKZRABXFPQXJD-UHFFFAOYSA-L
• XLogP: 11.39
• TPSA: 417.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1704.45
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine?

The IUPAC name of 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine (CID 157202108) is 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine.

What is the SMILES notation for 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine?

The canonical SMILES for 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine is CC1(C)Cc2cnc(N)nc2-c2n[nH]c(C(=O)Cc3ccc(C(=O)O)cc3)c21.CCOC(=O)c1ccc(CC(=O)c2[nH]nc3c2C(C)(C)Cc2cnc(N)nc2-3)cc1.CN1CCC(CC(=O)c2ccc(NC(=O)c3[nH]nc4c3C(C)(C)Cc3cnc(N)nc3-4)cc2)CC1.CN1CCC(N)CC1.I[V]I.[CH2-]C.

What is the InChIKey of 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine?

The InChIKey is MTKZRABXFPQXJD-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H31N7O2.C22H23N5O3.C20H19N5O3.C6H14N2.C2H5.2HI.V/c1-26(2)13-17-14-28-25(27)30-21(17)22-20(26)23(32-31-22)24(35)29-18-6-4-16(5-7-18)19(34)12-15-8-10-33(3)11-9-15;1-4-30-20(29)13-7-5-12(6-8-13)9-15(28)18-16-19(27-26-18)17-14(10-22(16,2)3)11-24-21(23)25-17;1-20(2)8-12-9-22-19(21)23-15(12)17-14(20)16(24-25-17)13(26)7-10-3-5-11(6-4-10)18(27)28;1-8-4-2-6(7)3-5-8;1-2;;;/h4-7,14-15H,8-13H2,1-3H3,(H,29,35)(H,31,32)(H2,27,28,30);5-8,11H,4,9-10H2,1-3H3,(H,26,27)(H2,23,24,25);3-6,9H,7-8H2,1-2H3,(H,24,25)(H,27,28)(H2,21,22,23);6H,2-5,7H2,1H3;1H2,2H3;2*1H;/q;;;;-1;;;+2/p-2.

What are the key properties of 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine?

4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine has a molecular weight of 1704.45 g/mol, XLogP of 11.39, 14 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine is sourced from PubChem (CID 157202108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).