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

C26H36N8 — CID 134181644

IUPACN-[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
SMILESCC(C)CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCC3)CNC5)nc2)CC1
InChIInChI=1S/C26H36N8/c1-19(2)17-32-9-11-33(12-10-32)21-5-6-23(28-16-21)30-25-29-14-20-13-22-15-27-18-26(7-3-4-8-26)34(22)24(20)31-25/h5-6,13-14,16,19,27H,3-4,7-12,15,17-18H2,1-2H3,(H,28,29,30,31)
InChIKeyPVILHBWUNDCNIK-UHFFFAOYSA-N
MW460.63 g/mol
LogP3.72
Rot. Bonds5

About 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

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 (PubChem CID 134181644) has the molecular formula C26H36N8 and a molecular weight of 460.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID134181644
Molecular FormulaC26H36N8
Molecular Weight460.63 g/mol
Exact Mass460.31
IUPAC NameN-[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
SMILESCC(C)CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCC3)CNC5)nc2)CC1
InChIInChI=1S/C26H36N8/c1-19(2)17-32-9-11-33(12-10-32)21-5-6-23(28-16-21)30-25-29-14-20-13-22-15-27-18-26(7-3-4-8-26)34(22)24(20)31-25/h5-6,13-14,16,19,27H,3-4,7-12,15,17-18H2,1-2H3,(H,28,29,30,31)
InChIKeyPVILHBWUNDCNIK-UHFFFAOYSA-N
XLogP3.72
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

N-(5-piperidin-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 129033649
4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 145041166
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-[(3R)-3-methyl-4-propylpiperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 144708289
7-cyclopentyl-2-[[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764109
N-(5-morpholin-4-yl-2-pyridinyl)spiro[11-oxa-1,3,5,13-tetrazatetracyclo[7.6.0.02,7.010,12]pentadeca-2,4,6,8-tetraene-15,1'-cyclopentane]-4-amine
CID 146246858
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-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine
CID 138616063
7-cyclopentyl-2-[[5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 175224068
4-[[5-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 86304865
8-cyclopentyl-6-(2-methylpropoxy)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 10152333
7-cyclopentyl-2-[[5-[4-(2-ethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764110

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCC3)CNC5)nc2)CC1.
What is the InChIKey of 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?
The InChIKey is PVILHBWUNDCNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8/c1-19(2)17-32-9-11-33(12-10-32)21-5-6-23(28-16-21)30-25-29-14-20-13-22-15-27-18-26(7-3-4-8-26)34(22)24(20)31-25/h5-6,13-14,16,19,27H,3-4,7-12,15,17-18H2,1-2H3,(H,28,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 460.63 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134181644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).