2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine

C57H72N16O3 — CID 160530165

About 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine

2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine (PubChem CID 160530165) has the molecular formula C57H72N16O3 and a molecular weight of 1029.31 g/mol. Its IUPAC name is 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine.

Molecular Properties

• Compound Name: 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine
• PubChem CID: 160530165
• Molecular Formula: C57H72N16O3
• Molecular Weight: 1029.31 g/mol
• Exact Mass: 1028.60
• IUPAC Name: 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine
• SMILES: COC(=O)Cc1ccccc1.Cn1nnc(-c2ccc3c(c2)CC(N)=C3C(N)=O)n1.Cn1nnc(-c2ccc3c(c2)Cc2nc(Cc4ccccc4)nc(NCCCN4CCCCC4)c2-3)n1.NCCCN1CCCCC1
• InChI: InChI=1S/C28H32N8.C12H12N6O.C9H10O2.C8H18N2/c1-35-33-27(32-34-35)21-11-12-23-22(18-21)19-24-26(23)28(29-13-8-16-36-14-6-3-7-15-36)31-25(30-24)17-20-9-4-2-5-10-20;1-18-16-12(15-17-18)6-2-3-8-7(4-6)5-9(13)10(8)11(14)19;1-11-9(10)7-8-5-3-2-4-6-8;9-5-4-8-10-6-2-1-3-7-10/h2,4-5,9-12,18H,3,6-8,13-17,19H2,1H3,(H,29,30,31);2-4H,5,13H2,1H3,(H2,14,19);2-6H,7H2,1H3;1-9H2
• InChIKey: QVKXZWIBQYWQOG-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 252.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.31
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine?

The IUPAC name of 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine (CID 160530165) is 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine.

What is the SMILES notation for 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine?

The canonical SMILES for 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine is COC(=O)Cc1ccccc1.Cn1nnc(-c2ccc3c(c2)CC(N)=C3C(N)=O)n1.Cn1nnc(-c2ccc3c(c2)Cc2nc(Cc4ccccc4)nc(NCCCN4CCCCC4)c2-3)n1.NCCCN1CCCCC1.

What is the InChIKey of 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine?

The InChIKey is QVKXZWIBQYWQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8.C12H12N6O.C9H10O2.C8H18N2/c1-35-33-27(32-34-35)21-11-12-23-22(18-21)19-24-26(23)28(29-13-8-16-36-14-6-3-7-15-36)31-25(30-24)17-20-9-4-2-5-10-20;1-18-16-12(15-17-18)6-2-3-8-7(4-6)5-9(13)10(8)11(14)19;1-11-9(10)7-8-5-3-2-4-6-8;9-5-4-8-10-6-2-1-3-7-10/h2,4-5,9-12,18H,3,6-8,13-17,19H2,1H3,(H,29,30,31);2-4H,5,13H2,1H3,(H2,14,19);2-6H,7H2,1H3;1-9H2.

What are the key properties of 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine?

2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine has a molecular weight of 1029.31 g/mol, XLogP of 5.93, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 160530165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).