N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine

C24H32N10 — CID 138616188

IUPACN-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine
SMILESCC(C)N1CCN(c2ccc(/N=c3\ncc4nnc5n(c-4n3)C3(CCCCC3)CN5)nc2)CC1
InChIInChI=1S/C24H32N10/c1-17(2)32-10-12-33(13-11-32)18-6-7-20(25-14-18)28-22-26-15-19-21(29-22)34-23(31-30-19)27-16-24(34)8-4-3-5-9-24/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3,(H,27,31)/b28-22+
InChIKeyAJNGLGFXTJLMLU-XAYXJRQQSA-N
MW460.59 g/mol
LogP2.42
Rot. Bonds3

About N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine

N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine (PubChem CID 138616188) has the molecular formula C24H32N10 and a molecular weight of 460.59 g/mol. Its IUPAC name is N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine
PubChem CID138616188
Molecular FormulaC24H32N10
Molecular Weight460.59 g/mol
Exact Mass460.28
IUPAC NameN-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine
SMILESCC(C)N1CCN(c2ccc(/N=c3\ncc4nnc5n(c-4n3)C3(CCCCC3)CN5)nc2)CC1
InChIInChI=1S/C24H32N10/c1-17(2)32-10-12-33(13-11-32)18-6-7-20(25-14-18)28-22-26-15-19-21(29-22)34-23(31-30-19)27-16-24(34)8-4-3-5-9-24/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3,(H,27,31)/b28-22+
InChIKeyAJNGLGFXTJLMLU-XAYXJRQQSA-N
XLogP2.42
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine?
The IUPAC name of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine (CID 138616188) is N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine.
What is the SMILES notation for N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine?
The canonical SMILES for N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine is CC(C)N1CCN(c2ccc(/N=c3\ncc4nnc5n(c-4n3)C3(CCCCC3)CN5)nc2)CC1.
What is the InChIKey of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine?
The InChIKey is AJNGLGFXTJLMLU-XAYXJRQQSA-N. The full InChI is InChI=1S/C24H32N10/c1-17(2)32-10-12-33(13-11-32)18-6-7-20(25-14-18)28-22-26-15-19-21(29-22)34-23(31-30-19)27-16-24(34)8-4-3-5-9-24/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3,(H,27,31)/b28-22+.
What are the key properties of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine?
N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine has a molecular weight of 460.59 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[2,5,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraene-3,1'-cyclohexane]-12-imine is sourced from PubChem (CID 138616188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).