(Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine

C30H30N6 — CID 147234639

IUPAC(Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine
SMILESN/C(=C\NC1=CC12CCC1(CC1)N2)c1ccc2cc(C#Cc3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)ccc2c1
InChIInChI=1S/C30H30N6/c31-24(17-32-27-15-30(27)10-9-29(36-30)7-8-29)21-5-4-19-11-18(1-3-20(19)12-21)2-6-23-16-33-28(34-23)26-14-22-13-25(22)35-26/h1,3-5,11-12,15-17,22,25-26,32,35-36H,7-10,13-14,31H2,(H,33,34)/b24-17-/t22-,25-,26+,30?/m1/s1
InChIKeyCJOPMXMBLDDBMD-DNZVVFOPSA-N
MW474.61 g/mol
LogP3.78
Rot. Bonds4

About (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine

(Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine (PubChem CID 147234639) has the molecular formula C30H30N6 and a molecular weight of 474.61 g/mol. Its IUPAC name is (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine
PubChem CID147234639
Molecular FormulaC30H30N6
Molecular Weight474.61 g/mol
Exact Mass474.25
IUPAC Name(Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine
SMILESN/C(=C\NC1=CC12CCC1(CC1)N2)c1ccc2cc(C#Cc3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)ccc2c1
InChIInChI=1S/C30H30N6/c31-24(17-32-27-15-30(27)10-9-29(36-30)7-8-29)21-5-4-19-11-18(1-3-20(19)12-21)2-6-23-16-33-28(34-23)26-14-22-13-25(22)35-26/h1,3-5,11-12,15-17,22,25-26,32,35-36H,7-10,13-14,31H2,(H,33,34)/b24-17-/t22-,25-,26+,30?/m1/s1
InChIKeyCJOPMXMBLDDBMD-DNZVVFOPSA-N
XLogP3.78
TPSA90.79 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine?
The IUPAC name of (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine (CID 147234639) is (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine?
The canonical SMILES for (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine is N/C(=C\NC1=CC12CCC1(CC1)N2)c1ccc2cc(C#Cc3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)ccc2c1.
What is the InChIKey of (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine?
The InChIKey is CJOPMXMBLDDBMD-DNZVVFOPSA-N. The full InChI is InChI=1S/C30H30N6/c31-24(17-32-27-15-30(27)10-9-29(36-30)7-8-29)21-5-4-19-11-18(1-3-20(19)12-21)2-6-23-16-33-28(34-23)26-14-22-13-25(22)35-26/h1,3-5,11-12,15-17,22,25-26,32,35-36H,7-10,13-14,31H2,(H,33,34)/b24-17-/t22-,25-,26+,30?/m1/s1.
What are the key properties of (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine?
(Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine has a molecular weight of 474.61 g/mol, XLogP of 3.78, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-N'-(4-azadispiro[2.1.25.23]non-6-en-6-yl)ethene-1,2-diamine is sourced from PubChem (CID 147234639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).