(2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide

C73H71N23O10 — CID 160542955

About (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide

(2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide (PubChem CID 160542955) has the molecular formula C73H71N23O10 and a molecular weight of 1430.52 g/mol. Its IUPAC name is (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide
• PubChem CID: 160542955
• Molecular Formula: C73H71N23O10
• Molecular Weight: 1430.52 g/mol
• Exact Mass: 1429.58
• IUPAC Name: (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide
• SMILES: Nc1nc2c(cnn2C2(C(=O)NCC3(O)COC3)CCCc3ccccc32)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@H](C(=O)NC2CCC(O)CC2)c2ccccc2)c2nc(-c3ccco3)nn12.O=C(NC1CCC(O)CC1)[C@@H](c1ccccc1)n1ncc2c1ncn1nc(-c3ccco3)nc21
• InChI: InChI=1S/C25H24N8O4.C24H24N8O3.C24H23N7O3/c26-23-30-21-16(20-29-19(31-32(20)23)18-8-4-10-37-18)11-28-33(21)25(22(34)27-12-24(35)13-36-14-24)9-3-6-15-5-1-2-7-17(15)25;25-24-29-22-17(21-28-20(30-32(21)24)18-7-4-12-35-18)13-26-31(22)19(14-5-2-1-3-6-14)23(34)27-15-8-10-16(33)11-9-15;32-17-10-8-16(9-11-17)27-24(33)20(15-5-2-1-3-6-15)31-22-18(13-26-31)23-28-21(19-7-4-12-34-19)29-30(23)14-25-22/h1-2,4-5,7-8,10-11,35H,3,6,9,12-14H2,(H2,26,30)(H,27,34);1-7,12-13,15-16,19,33H,8-11H2,(H2,25,29)(H,27,34);1-7,12-14,16-17,20,32H,8-11H2,(H,27,33)/t;15?,16?,19-;16?,17?,20-/m.01/s1
• InChIKey: QXAOGXBVHZSESC-KXXGPWNLSA-N
• XLogP: 6.34
• TPSA: 431.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1430.52
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide?

The IUPAC name of (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide (CID 160542955) is (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide.

What is the SMILES notation for (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide?

The canonical SMILES for (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide is Nc1nc2c(cnn2C2(C(=O)NCC3(O)COC3)CCCc3ccccc32)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2[C@H](C(=O)NC2CCC(O)CC2)c2ccccc2)c2nc(-c3ccco3)nn12.O=C(NC1CCC(O)CC1)[C@@H](c1ccccc1)n1ncc2c1ncn1nc(-c3ccco3)nc21.

What is the InChIKey of (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide?

The InChIKey is QXAOGXBVHZSESC-KXXGPWNLSA-N. The full InChI is InChI=1S/C25H24N8O4.C24H24N8O3.C24H23N7O3/c26-23-30-21-16(20-29-19(31-32(20)23)18-8-4-10-37-18)11-28-33(21)25(22(34)27-12-24(35)13-36-14-24)9-3-6-15-5-1-2-7-17(15)25;25-24-29-22-17(21-28-20(30-32(21)24)18-7-4-12-35-18)13-26-31(22)19(14-5-2-1-3-6-14)23(34)27-15-8-10-16(33)11-9-15;32-17-10-8-16(9-11-17)27-24(33)20(15-5-2-1-3-6-15)31-22-18(13-26-31)23-28-21(19-7-4-12-34-19)29-30(23)14-25-22/h1-2,4-5,7-8,10-11,35H,3,6,9,12-14H2,(H2,26,30)(H,27,34);1-7,12-13,15-16,19,33H,8-11H2,(H2,25,29)(H,27,34);1-7,12-14,16-17,20,32H,8-11H2,(H,27,33)/t;15?,16?,19-;16?,17?,20-/m.01/s1.

What are the key properties of (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide?

(2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide has a molecular weight of 1430.52 g/mol, XLogP of 6.34, 15 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide;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]-N-[(3-hydroxyoxetan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxamide;(2R)-2-[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]-N-(4-hydroxycyclohexyl)-2-phenylacetamide is sourced from PubChem (CID 160542955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).