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

C27H35N7 — CID 157414730

IUPACN-[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
SMILESCC(C)N1CCN(c2ccc(Nc3ncc4c(n3)C3=C(C4)N=CCC34CCCCC4)nc2)CC1
InChIInChI=1S/C27H35N7/c1-19(2)33-12-14-34(15-13-33)21-6-7-23(29-18-21)31-26-30-17-20-16-22-24(25(20)32-26)27(10-11-28-22)8-4-3-5-9-27/h6-7,11,17-19H,3-5,8-10,12-16H2,1-2H3,(H,29,30,31,32)
InChIKeyCWCKOUWXOHPVPE-UHFFFAOYSA-N
MW457.63 g/mol
LogP4.84
Rot. Bonds4

About 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

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 (PubChem CID 157414730) has the molecular formula C27H35N7 and a molecular weight of 457.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157414730
Molecular FormulaC27H35N7
Molecular Weight457.63 g/mol
Exact Mass457.30
IUPAC NameN-[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
SMILESCC(C)N1CCN(c2ccc(Nc3ncc4c(n3)C3=C(C4)N=CCC34CCCCC4)nc2)CC1
InChIInChI=1S/C27H35N7/c1-19(2)33-12-14-34(15-13-33)21-6-7-23(29-18-21)31-26-30-17-20-16-22-24(25(20)32-26)27(10-11-28-22)8-4-3-5-9-27/h6-7,11,17-19H,3-5,8-10,12-16H2,1-2H3,(H,29,30,31,32)
InChIKeyCWCKOUWXOHPVPE-UHFFFAOYSA-N
XLogP4.84
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.63
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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
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
10-methyl-11-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine
CID 158432415
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
5-fluoro-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
CID 158244154
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-methyl-3-propan-2-yl-5,10,12-triaza-3-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-11-amine
CID 153319039
10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,8,9,11-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-4-amine
CID 166686087
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434
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
4-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),4,8-triene-13,1'-cyclohexane]-10-one
CID 146605432
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
10-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-11-one
CID 138616238

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCN(c2ccc(Nc3ncc4c(n3)C3=C(C4)N=CCC34CCCCC4)nc2)CC1.
What is the InChIKey of 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?
The InChIKey is CWCKOUWXOHPVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7/c1-19(2)33-12-14-34(15-13-33)21-6-7-23(29-18-21)31-26-30-17-20-16-22-24(25(20)32-26)27(10-11-28-22)8-4-3-5-9-27/h6-7,11,17-19H,3-5,8-10,12-16H2,1-2H3,(H,29,30,31,32).
What are the key properties of 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?
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 has a molecular weight of 457.63 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine is sourced from PubChem (CID 157414730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).