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

C23H27N7O2 — CID 146246858

IUPACN-(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
SMILESc1cc(Nc2ncc3cc4n(c3n2)C2(CCCC2)CNC2OC42)ncc1N1CCOCC1
InChIInChI=1S/C23H27N7O2/c1-2-6-23(5-1)14-26-21-19(32-21)17-11-15-12-25-22(28-20(15)30(17)23)27-18-4-3-16(13-24-18)29-7-9-31-10-8-29/h3-4,11-13,19,21,26H,1-2,5-10,14H2,(H,24,25,27,28)
InChIKeySQAXKTRFONRQOA-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.68
Rot. Bonds3

About 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

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 (PubChem CID 146246858) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID146246858
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-(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
SMILESc1cc(Nc2ncc3cc4n(c3n2)C2(CCCC2)CNC2OC42)ncc1N1CCOCC1
InChIInChI=1S/C23H27N7O2/c1-2-6-23(5-1)14-26-21-19(32-21)17-11-15-12-25-22(28-20(15)30(17)23)27-18-4-3-16(13-24-18)29-7-9-31-10-8-29/h3-4,11-13,19,21,26H,1-2,5-10,14H2,(H,24,25,27,28)
InChIKeySQAXKTRFONRQOA-UHFFFAOYSA-N
XLogP2.68
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

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
N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine
CID 138616065
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
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-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
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-[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
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
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
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
tert-butyl 4-[6-[[15-(2-methylpropyl)-11-oxa-1,3,5,13-tetrazatetracyclo[7.6.0.02,7.010,12]pentadeca-2,4,6,8-tetraen-4-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 156569510
13-[[5-(4-cyclobutylpiperazin-1-yl)-2-pyridinyl]amino]-3,10,12,14-tetrazatricyclo[8.7.0.011,16]heptadeca-1(17),11,13,15-tetraen-2-ol
CID 170081621

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(Nc2ncc3cc4n(c3n2)C2(CCCC2)CNC2OC42)ncc1N1CCOCC1.
What is the InChIKey of 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?
The InChIKey is SQAXKTRFONRQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-2-6-23(5-1)14-26-21-19(32-21)17-11-15-12-25-22(28-20(15)30(17)23)27-18-4-3-16(13-24-18)29-7-9-31-10-8-29/h3-4,11-13,19,21,26H,1-2,5-10,14H2,(H,24,25,27,28).
What are the key properties of 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?
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 has a molecular weight of 433.52 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146246858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).