[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide

C141H151N27OPt5 — CID 158814708

About [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide

[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide (PubChem CID 158814708) has the molecular formula C141H151N27OPt5 and a molecular weight of 3215.34 g/mol. Its IUPAC name is [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide.

Molecular Properties

• Compound Name: [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide
• PubChem CID: 158814708
• Molecular Formula: C141H151N27OPt5
• Molecular Weight: 3215.34 g/mol
• Exact Mass: 3213.08
• IUPAC Name: [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide
• SMILES: CC(C)(C[N-]Cc1ccccn1)c1cc2ccccc2c(-c2[n-]nc3c2C2CCC3(C)C2(C)C)n1.CC(C)(C[N-]Cc1ccccn1)c1cccc(-c2[n-]nc3c2C2CCC3(C)C2(C)C)n1.CC12CCC(c3c1n[n-]c3-c1cccc(N(C[N-]Cc3ccccn3)c3ccccc3)n1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cccc(OC[N-]Cc3ccccn3)n1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(N(C[N-]Cc3ccccn3)c3ccccc3)cc3ccccc13)C2(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C33H32N6.C30H33N5.C29H30N6.C26H31N5.C23H25N5O.5Pt/c1-32(2)26-16-17-33(32,3)31-28(26)30(37-38-31)29-25-15-8-7-11-22(25)19-27(36-29)39(24-13-5-4-6-14-24)21-34-20-23-12-9-10-18-35-23;1-28(2,18-31-17-20-11-8-9-15-32-20)23-16-19-10-6-7-12-21(19)25(33-23)26-24-22-13-14-30(5,29(22,3)4)27(24)35-34-26;1-28(2)22-15-16-29(28,3)27-25(22)26(33-34-27)23-13-9-14-24(32-23)35(21-11-5-4-6-12-21)19-30-18-20-10-7-8-17-31-20;1-24(2,16-27-15-17-9-6-7-14-28-17)20-11-8-10-19(29-20)22-21-18-12-13-26(5,25(18,3)4)23(21)31-30-22;1-22(2)16-10-11-23(22,3)21-19(16)20(27-28-21)17-8-6-9-18(26-17)29-14-24-13-15-7-4-5-12-25-15;;;;;/h4-15,18-19,26H,16-17,20-21H2,1-3H3;6-12,15-16,22H,13-14,17-18H2,1-5H3;4-14,17,22H,15-16,18-19H2,1-3H3;6-11,14,18H,12-13,15-16H2,1-5H3;4-9,12,16H,10-11,13-14H2,1-3H3;;;;;/q5*-2;5*+2
• InChIKey: IVCUDVWEIBOMNW-UHFFFAOYSA-N
• XLogP: 30.60
• TPSA: 350.06 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 32
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3215.34
LogP ≤ 5	30.60
H-Bond Donors ≤ 5	0
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-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide?

The IUPAC name of [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide (CID 158814708) is [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide.

What is the SMILES notation for [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide?

The canonical SMILES for [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide is CC(C)(C[N-]Cc1ccccn1)c1cc2ccccc2c(-c2[n-]nc3c2C2CCC3(C)C2(C)C)n1.CC(C)(C[N-]Cc1ccccn1)c1cccc(-c2[n-]nc3c2C2CCC3(C)C2(C)C)n1.CC12CCC(c3c1n[n-]c3-c1cccc(N(C[N-]Cc3ccccn3)c3ccccc3)n1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cccc(OC[N-]Cc3ccccn3)n1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(N(C[N-]Cc3ccccn3)c3ccccc3)cc3ccccc13)C2(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide?

The InChIKey is IVCUDVWEIBOMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N6.C30H33N5.C29H30N6.C26H31N5.C23H25N5O.5Pt/c1-32(2)26-16-17-33(32,3)31-28(26)30(37-38-31)29-25-15-8-7-11-22(25)19-27(36-29)39(24-13-5-4-6-14-24)21-34-20-23-12-9-10-18-35-23;1-28(2,18-31-17-20-11-8-9-15-32-20)23-16-19-10-6-7-12-21(19)25(33-23)26-24-22-13-14-30(5,29(22,3)4)27(24)35-34-26;1-28(2)22-15-16-29(28,3)27-25(22)26(33-34-27)23-13-9-14-24(32-23)35(21-11-5-4-6-12-21)19-30-18-20-10-7-8-17-31-20;1-24(2,16-27-15-17-9-6-7-14-28-17)20-11-8-10-19(29-20)22-21-18-12-13-26(5,25(18,3)4)23(21)31-30-22;1-22(2)16-10-11-23(22,3)21-19(16)20(27-28-21)17-8-6-9-18(26-17)29-14-24-13-15-7-4-5-12-25-15;;;;;/h4-15,18-19,26H,16-17,20-21H2,1-3H3;6-12,15-16,22H,13-14,17-18H2,1-5H3;4-14,17,22H,15-16,18-19H2,1-3H3;6-11,14,18H,12-13,15-16H2,1-5H3;4-9,12,16H,10-11,13-14H2,1-3H3;;;;;/q5*-2;5*+2.

What are the key properties of [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide?

[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide has a molecular weight of 3215.34 g/mol, XLogP of 30.60, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-methyl-2-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]propyl]-(pyridin-2-ylmethyl)azanide;pentakis(platinum(2+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[(N-[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide is sourced from PubChem (CID 158814708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).