N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine

C20H21N7 — CID 158308668

IUPACN-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine
SMILESc1c[nH]c(Nc2ncc3cc4n(c3n2)C2(CCCCC2)Cn2ccnc2-4)c1
InChIInChI=1S/C20H21N7/c1-2-6-20(7-3-1)13-26-10-9-22-18(26)15-11-14-12-23-19(25-17(14)27(15)20)24-16-5-4-8-21-16/h4-5,8-12,21H,1-3,6-7,13H2,(H,23,24,25)
InChIKeyGNKHKHAIZXYSGL-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.04
Rot. Bonds2

About N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine

N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine (PubChem CID 158308668) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine
PubChem CID158308668
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine
SMILESc1c[nH]c(Nc2ncc3cc4n(c3n2)C2(CCCCC2)Cn2ccnc2-4)c1
InChIInChI=1S/C20H21N7/c1-2-6-20(7-3-1)13-26-10-9-22-18(26)15-11-14-12-23-19(25-17(14)27(15)20)24-16-5-4-8-21-16/h4-5,8-12,21H,1-3,6-7,13H2,(H,23,24,25)
InChIKeyGNKHKHAIZXYSGL-UHFFFAOYSA-N
XLogP4.04
TPSA76.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]benzenesulfonamide
CID 155209079
4-[[(3R)-piperidin-3-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 155209060
4-(4-piperazin-1-ylsulfonylanilino)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 162360085
4-[4-(piperazine-1-carbonyl)anilino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 162360217
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
11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 162103870
4-[[5-[butyl(propyl)amino]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclopentane]-10-one
CID 170078241
4-[(11-oxospiro[1,3,5,10-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]benzenesulfinamide
CID 162360001
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
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
N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide
CID 155223118
4-[[5-[(3S)-4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]-11-methylspiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 170076847

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine?
The IUPAC name of N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine (CID 158308668) is N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine.
What is the SMILES notation for N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine?
The canonical SMILES for N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine is c1c[nH]c(Nc2ncc3cc4n(c3n2)C2(CCCCC2)Cn2ccnc2-4)c1.
What is the InChIKey of N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine?
The InChIKey is GNKHKHAIZXYSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-2-6-20(7-3-1)13-26-10-9-22-18(26)15-11-14-12-23-19(25-17(14)27(15)20)24-16-5-4-8-21-16/h4-5,8-12,21H,1-3,6-7,13H2,(H,23,24,25).
What are the key properties of N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine?
N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine has a molecular weight of 359.44 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-yl)spiro[3,6,9,11,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine is sourced from PubChem (CID 158308668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).