N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine

C28H37N7OS — CID 161097549

IUPACN-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine
SMILESc1cc(Nc2ncc3sc4c(c3n2)C2(CCCCC2)CCN4)ncc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C28H37N7OS/c1-2-8-28(9-3-1)10-11-29-26-24(28)25-22(37-26)19-31-27(33-25)32-23-5-4-21(18-30-23)34-12-6-20(7-13-34)35-14-16-36-17-15-35/h4-5,18-20,29H,1-3,6-17H2,(H,30,31,32,33)
InChIKeyKPVOUKLCTRCRSG-UHFFFAOYSA-N
MW519.72 g/mol
LogP5.15
Rot. Bonds4

About N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine

N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine (PubChem CID 161097549) has the molecular formula C28H37N7OS and a molecular weight of 519.72 g/mol. Its IUPAC name is N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine
PubChem CID161097549
Molecular FormulaC28H37N7OS
Molecular Weight519.72 g/mol
Exact Mass519.28
IUPAC NameN-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine
SMILESc1cc(Nc2ncc3sc4c(c3n2)C2(CCCCC2)CCN4)ncc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C28H37N7OS/c1-2-8-28(9-3-1)10-11-29-26-24(28)25-22(37-26)19-31-27(33-25)32-23-5-4-21(18-30-23)34-12-6-20(7-13-34)35-14-16-36-17-15-35/h4-5,18-20,29H,1-3,6-17H2,(H,30,31,32,33)
InChIKeyKPVOUKLCTRCRSG-UHFFFAOYSA-N
XLogP5.15
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.72
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine with MolForge

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Launch Full Analysis

Related Compounds

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-[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
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
5-(4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine
CID 67513413
4-[[5-(4-piperidin-1-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6,8-tetraene-14,1'-cyclohexane]-11-one
CID 118459702
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
2-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-6-yl]-3-hydroxyazetidine-1-carbaldehyde
CID 130422229
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
1-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one
CID 175582353
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine?
The IUPAC name of N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine (CID 161097549) is N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine.
What is the SMILES notation for N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine?
The canonical SMILES for N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine is c1cc(Nc2ncc3sc4c(c3n2)C2(CCCCC2)CCN4)ncc1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine?
The InChIKey is KPVOUKLCTRCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7OS/c1-2-8-28(9-3-1)10-11-29-26-24(28)25-22(37-26)19-31-27(33-25)32-23-5-4-21(18-30-23)34-12-6-20(7-13-34)35-14-16-36-17-15-35/h4-5,18-20,29H,1-3,6-17H2,(H,30,31,32,33).
What are the key properties of N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine?
N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine has a molecular weight of 519.72 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-4-amine is sourced from PubChem (CID 161097549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).