(3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene

C114H106N22O3 — CID 159792782

IUPAC(3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene
SMILESC=c1c2c3c(nccc3c3cn(C(CC#N)C4CCCC4)nc13)CC=2.C=c1c2c3c(nccc3c3cn([C@@H](CC#N)C4CCCC4)nc13)CC=2.C=c1c2c3c(nccc3c3cn([C@H](CC#N)C4CCCC4)nc13)CC=2.C=c1c2c3c(nccc3c3cn[nH]c13)CC=2.COC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21.N#CCC(C1CCCC1)n1ncc2c1C(=O)C1=CCc3nccc-2c31
InChIInChI=1S/3C21H20N4.C20H18N4O.C18H19N3O2.C13H9N3/c3*1-13-15-6-7-18-20(15)16(9-11-23-18)17-12-25(24-21(13)17)19(8-10-22)14-4-2-3-5-14;21-9-7-17(12-3-1-2-4-12)24-19-15(11-23-24)13-8-10-22-16-6-5-14(18(13)16)20(19)25;1-22-18-12-5-6-14-16(12)11(7-8-19-14)13-10-21(20-17(13)18)15-4-2-3-9-23-15;1-7-8-2-3-11-12(8)9(4-5-14-11)10-6-15-16-13(7)10/h3*6,9,11-12,14,19H,1-5,7-8H2;5,8,10-12,17H,1-4,6-7H2;5,7-8,10,15,18H,2-4,6,9H2,1H3;2,4-6H,1,3H2,(H,15,16)/t2*19-;;;;/m10..../s1
InChIKeyNITXENBHYFBTDA-NLMRPXMFSA-N
MW1832.25 g/mol
LogP16.80
Rot. Bonds14

About (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene

(3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene (PubChem CID 159792782) has the molecular formula C114H106N22O3 and a molecular weight of 1832.25 g/mol. Its IUPAC name is (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene.

Molecular Properties

Compound Name(3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene
PubChem CID159792782
Molecular FormulaC114H106N22O3
Molecular Weight1832.25 g/mol
Exact Mass1830.88
IUPAC Name(3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene
SMILESC=c1c2c3c(nccc3c3cn(C(CC#N)C4CCCC4)nc13)CC=2.C=c1c2c3c(nccc3c3cn([C@@H](CC#N)C4CCCC4)nc13)CC=2.C=c1c2c3c(nccc3c3cn([C@H](CC#N)C4CCCC4)nc13)CC=2.C=c1c2c3c(nccc3c3cn[nH]c13)CC=2.COC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21.N#CCC(C1CCCC1)n1ncc2c1C(=O)C1=CCc3nccc-2c31
InChIInChI=1S/3C21H20N4.C20H18N4O.C18H19N3O2.C13H9N3/c3*1-13-15-6-7-18-20(15)16(9-11-23-18)17-12-25(24-21(13)17)19(8-10-22)14-4-2-3-5-14;21-9-7-17(12-3-1-2-4-12)24-19-15(11-23-24)13-8-10-22-16-6-5-14(18(13)16)20(19)25;1-22-18-12-5-6-14-16(12)11(7-8-19-14)13-10-21(20-17(13)18)15-4-2-3-9-23-15;1-7-8-2-3-11-12(8)9(4-5-14-11)10-6-15-16-13(7)10/h3*6,9,11-12,14,19H,1-5,7-8H2;5,8,10-12,17H,1-4,6-7H2;5,7-8,10,15,18H,2-4,6,9H2,1H3;2,4-6H,1,3H2,(H,15,16)/t2*19-;;;;/m10..../s1
InChIKeyNITXENBHYFBTDA-NLMRPXMFSA-N
XLogP16.80
TPSA325.81 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.25
LogP ≤ 516.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene with MolForge

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Related Compounds

(3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3S)-3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;5-[(1R)-1-cyclopentylpropyl]-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-7-one;5-(1-cyclopentylpropyl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-7-one;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene
CID 158305913
4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol
CID 158415583
(3S)-3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,9,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,9,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,9,11,13-hexaen-5-yl)propanenitrile;bis(7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,9,11,13-hexaene);4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,9,11,13-hexaen-7-one
CID 161817240

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene?
The IUPAC name of (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene (CID 159792782) is (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene.
What is the SMILES notation for (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene?
The canonical SMILES for (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene is C=c1c2c3c(nccc3c3cn(C(CC#N)C4CCCC4)nc13)CC=2.C=c1c2c3c(nccc3c3cn([C@@H](CC#N)C4CCCC4)nc13)CC=2.C=c1c2c3c(nccc3c3cn([C@H](CC#N)C4CCCC4)nc13)CC=2.C=c1c2c3c(nccc3c3cn[nH]c13)CC=2.COC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21.N#CCC(C1CCCC1)n1ncc2c1C(=O)C1=CCc3nccc-2c31.
What is the InChIKey of (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene?
The InChIKey is NITXENBHYFBTDA-NLMRPXMFSA-N. The full InChI is InChI=1S/3C21H20N4.C20H18N4O.C18H19N3O2.C13H9N3/c3*1-13-15-6-7-18-20(15)16(9-11-23-18)17-12-25(24-21(13)17)19(8-10-22)14-4-2-3-5-14;21-9-7-17(12-3-1-2-4-12)24-19-15(11-23-24)13-8-10-22-16-6-5-14(18(13)16)20(19)25;1-22-18-12-5-6-14-16(12)11(7-8-19-14)13-10-21(20-17(13)18)15-4-2-3-9-23-15;1-7-8-2-3-11-12(8)9(4-5-14-11)10-6-15-16-13(7)10/h3*6,9,11-12,14,19H,1-5,7-8H2;5,8,10-12,17H,1-4,6-7H2;5,7-8,10,15,18H,2-4,6,9H2,1H3;2,4-6H,1,3H2,(H,15,16)/t2*19-;;;;/m10..../s1.
What are the key properties of (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene?
(3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene has a molecular weight of 1832.25 g/mol, XLogP of 16.80, 14 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;(3R)-3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-4-yl)propanenitrile;3-cyclopentyl-3-(7-oxo-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaen-5-yl)propanenitrile;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;7-methylidene-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),3,8,11,13-hexaene is sourced from PubChem (CID 159792782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).