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

C31H41N7O — CID 158432415

IUPAC10-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
SMILESC=C1CC2(CCCCC2)C2=C(Cc3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cn4)nc32)N1C
InChIInChI=1S/C31H41N7O/c1-22-19-31(10-4-3-5-11-31)28-26(36(22)2)18-23-20-33-30(35-29(23)28)34-27-7-6-25(21-32-27)37-12-8-24(9-13-37)38-14-16-39-17-15-38/h6-7,20-21,24H,1,3-5,8-19H2,2H3,(H,32,33,34,35)
InChIKeySSOKBVSESLKCKC-UHFFFAOYSA-N
MW527.72 g/mol
LogP4.98
Rot. Bonds4

About 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

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 (PubChem CID 158432415) has the molecular formula C31H41N7O and a molecular weight of 527.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID158432415
Molecular FormulaC31H41N7O
Molecular Weight527.72 g/mol
Exact Mass527.34
IUPAC Name10-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
SMILESC=C1CC2(CCCCC2)C2=C(Cc3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cn4)nc32)N1C
InChIInChI=1S/C31H41N7O/c1-22-19-31(10-4-3-5-11-31)28-26(36(22)2)18-23-20-33-30(35-29(23)28)34-27-7-6-25(21-32-27)37-12-8-24(9-13-37)38-14-16-39-17-15-38/h6-7,20-21,24H,1,3-5,8-19H2,2H3,(H,32,33,34,35)
InChIKeySSOKBVSESLKCKC-UHFFFAOYSA-N
XLogP4.98
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.72
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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
5-(4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine
CID 67513413
1-cyclopentyl-5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one
CID 175582353
6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione
CID 170586358
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-triene-13,1'-cyclohexane]-10-one
CID 86267632

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1CC2(CCCCC2)C2=C(Cc3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cn4)nc32)N1C.
What is the InChIKey of 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?
The InChIKey is SSOKBVSESLKCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O/c1-22-19-31(10-4-3-5-11-31)28-26(36(22)2)18-23-20-33-30(35-29(23)28)34-27-7-6-25(21-32-27)37-12-8-24(9-13-37)38-14-16-39-17-15-38/h6-7,20-21,24H,1,3-5,8-19H2,2H3,(H,32,33,34,35).
What are the key properties of 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?
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 has a molecular weight of 527.72 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158432415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).