(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one

C141H124N38O13 — CID 157493749

IUPAC(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one
SMILESNc1nc2c(cnn2C(C(=O)CCc2cccc(C3(O)CCC3)n2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@@H](C(=O)CCCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@@H](C(=O)CCc2cccc(C3(O)CCC3)n2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@H](C(=O)CCCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@H](C(=O)CCc2cccc(C3(O)CCC3)n2)c2ccccc2)c2nc(-c3ccco3)nn12
InChIInChI=1S/3C29H26N8O3.2C27H23N7O2/c3*30-28-34-27-20(26-33-25(35-37(26)28)22-10-5-16-40-22)17-31-36(27)24(18-7-2-1-3-8-18)21(38)13-12-19-9-4-11-23(32-19)29(39)14-6-15-29;2*28-27-31-26-20(25-30-24(32-34(25)27)22-15-8-16-36-22)17-29-33(26)23(19-12-5-2-6-13-19)21(35)14-7-11-18-9-3-1-4-10-18/h3*1-5,7-11,16-17,24,39H,6,12-15H2,(H2,30,34);2*1-6,8-10,12-13,15-17,23H,7,11,14H2,(H2,28,31)/t2*24-;;2*23-/m10.10/s1
InChIKeyBXORCTDRDDFMAO-CPKZIEPBSA-N
MW2558.80 g/mol
LogP20.62
Rot. Bonds40

About (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one

(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one (PubChem CID 157493749) has the molecular formula C141H124N38O13 and a molecular weight of 2558.80 g/mol. Its IUPAC name is (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one.

Molecular Properties

Compound Name(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one
PubChem CID157493749
Molecular FormulaC141H124N38O13
Molecular Weight2558.80 g/mol
Exact Mass2557.02
IUPAC Name(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one
SMILESNc1nc2c(cnn2C(C(=O)CCc2cccc(C3(O)CCC3)n2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@@H](C(=O)CCCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@@H](C(=O)CCc2cccc(C3(O)CCC3)n2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@H](C(=O)CCCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@H](C(=O)CCc2cccc(C3(O)CCC3)n2)c2ccccc2)c2nc(-c3ccco3)nn12
InChIInChI=1S/3C29H26N8O3.2C27H23N7O2/c3*30-28-34-27-20(26-33-25(35-37(26)28)22-10-5-16-40-22)17-31-36(27)24(18-7-2-1-3-8-18)21(38)13-12-19-9-4-11-23(32-19)29(39)14-6-15-29;2*28-27-31-26-20(25-30-24(32-34(25)27)22-15-8-16-36-22)17-29-33(26)23(19-12-5-2-6-13-19)21(35)14-7-11-18-9-3-1-4-10-18/h3*1-5,7-11,16-17,24,39H,6,12-15H2,(H2,30,34);2*1-6,8-10,12-13,15-17,23H,7,11,14H2,(H2,28,31)/t2*24-;;2*23-/m10.10/s1
InChIKeyBXORCTDRDDFMAO-CPKZIEPBSA-N
XLogP20.62
TPSA685.01 Ų
H-Bond Donors8
H-Bond Acceptors51
Rotatable Bonds40
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002558.80
LogP ≤ 520.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1051

Analyze (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one?
The IUPAC name of (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one (CID 157493749) is (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one.
What is the SMILES notation for (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one?
The canonical SMILES for (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one is Nc1nc2c(cnn2C(C(=O)CCc2cccc(C3(O)CCC3)n2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@@H](C(=O)CCCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@@H](C(=O)CCc2cccc(C3(O)CCC3)n2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@H](C(=O)CCCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@H](C(=O)CCc2cccc(C3(O)CCC3)n2)c2ccccc2)c2nc(-c3ccco3)nn12.
What is the InChIKey of (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one?
The InChIKey is BXORCTDRDDFMAO-CPKZIEPBSA-N. The full InChI is InChI=1S/3C29H26N8O3.2C27H23N7O2/c3*30-28-34-27-20(26-33-25(35-37(26)28)22-10-5-16-40-22)17-31-36(27)24(18-7-2-1-3-8-18)21(38)13-12-19-9-4-11-23(32-19)29(39)14-6-15-29;2*28-27-31-26-20(25-30-24(32-34(25)27)22-15-8-16-36-22)17-29-33(26)23(19-12-5-2-6-13-19)21(35)14-7-11-18-9-3-1-4-10-18/h3*1-5,7-11,16-17,24,39H,6,12-15H2,(H2,30,34);2*1-6,8-10,12-13,15-17,23H,7,11,14H2,(H2,28,31)/t2*24-;;2*23-/m10.10/s1.
What are the key properties of (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one?
(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one has a molecular weight of 2558.80 g/mol, XLogP of 20.62, 40 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1,5-diphenylpentan-2-one;(1S)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;(1R)-1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one;1-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-1-phenylbutan-2-one is sourced from PubChem (CID 157493749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).