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

C24H32N10 — CID 138616061

IUPACN-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine
SMILESCC(C)N1CCN(c2ccc(Nc3ncn4nc5c(c4n3)C3(CCCCC3)CN=N5)nc2)CC1
InChIInChI=1S/C24H32N10/c1-17(2)32-10-12-33(13-11-32)18-6-7-19(25-14-18)28-23-26-16-34-22(29-23)20-21(31-34)30-27-15-24(20)8-4-3-5-9-24/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3,(H,25,28,29)
InChIKeyRKARBMQLFLFRSC-UHFFFAOYSA-N
MW460.59 g/mol
LogP4.09
Rot. Bonds4

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

N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine (PubChem CID 138616061) 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[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine
PubChem CID138616061
Molecular FormulaC24H32N10
Molecular Weight460.59 g/mol
Exact Mass460.28
IUPAC NameN-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine
SMILESCC(C)N1CCN(c2ccc(Nc3ncn4nc5c(c4n3)C3(CCCCC3)CN=N5)nc2)CC1
InChIInChI=1S/C24H32N10/c1-17(2)32-10-12-33(13-11-32)18-6-7-19(25-14-18)28-23-26-16-34-22(29-23)20-21(31-34)30-27-15-24(20)8-4-3-5-9-24/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3,(H,25,28,29)
InChIKeyRKARBMQLFLFRSC-UHFFFAOYSA-N
XLogP4.09
TPSA99.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine
CID 138616063
10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,11-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraene-13,1'-cyclohexane]-4-amine
CID 166686126
2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one
CID 158904746
N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine
CID 157414730
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10-pentaene-13,1'-cyclohexane]-4-amine
CID 138556740
2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one
CID 159307931
N-(piperidin-1-ylmethyl)-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 146605349
4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,4'-oxane]-10-one;2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,4'-oxane]-6-one
CID 159515798
N-[5-[4-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclopentane]-4-amine
CID 134181644
azetidin-1-yl-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanone
CID 134261149
aniline;N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-10-methylsulfanylspiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10-pentaene-13,1'-cyclohexane]-4-amine;4-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-10-N-phenylspiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10-pentaene-13,1'-cyclohexane]-4,10-diamine
CID 159182973
1-[7-[1-(aminomethyl)cyclohexyl]-2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl]ethanone
CID 123827312

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine?
The IUPAC name of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine (CID 138616061) is N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine.
What is the SMILES notation for N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine?
The canonical SMILES for N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine is CC(C)N1CCN(c2ccc(Nc3ncn4nc5c(c4n3)C3(CCCCC3)CN=N5)nc2)CC1.
What is the InChIKey of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine?
The InChIKey is RKARBMQLFLFRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N10/c1-17(2)32-10-12-33(13-11-32)18-6-7-19(25-14-18)28-23-26-16-34-22(29-23)20-21(31-34)30-27-15-24(20)8-4-3-5-9-24/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3,(H,25,28,29).
What are the key properties of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine?
N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine has a molecular weight of 460.59 g/mol, XLogP of 4.09, 4 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[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine is sourced from PubChem (CID 138616061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).