10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one

C34H37ClFN7O4 — CID 177329898

About 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one

10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one (PubChem CID 177329898) has the molecular formula C34H37ClFN7O4 and a molecular weight of 662.17 g/mol. Its IUPAC name is 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one.

Molecular Properties

• Compound Name: 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one
• PubChem CID: 177329898
• Molecular Formula: C34H37ClFN7O4
• Molecular Weight: 662.17 g/mol
• Exact Mass: 661.26
• IUPAC Name: 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one
• SMILES: Cc1c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc13)N1CCCC3(CC(C3)OC(=O)OCCc3c(Cl)cc4[nH]ncc4c3-2)C1
• InChI: InChI=1S/C34H37ClFN7O4/c1-19-28-24-14-37-29(19)27-22(25(35)10-26-23(27)15-38-41-26)4-9-45-32(44)47-21-12-33(13-21)5-2-7-42(17-33)30(24)40-31(39-28)46-18-34-6-3-8-43(34)16-20(36)11-34/h10,14-15,20-21H,2-9,11-13,16-18H2,1H3,(H,38,41)/t20-,21?,33?,34+/m1/s1
• InChIKey: YDILJDLOYDNXEH-NWZINCROSA-N
• XLogP: 5.94
• TPSA: 118.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.17
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one?

The IUPAC name of 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one (CID 177329898) is 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one.

What is the SMILES notation for 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one?

The canonical SMILES for 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one is Cc1c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc13)N1CCCC3(CC(C3)OC(=O)OCCc3c(Cl)cc4[nH]ncc4c3-2)C1.

What is the InChIKey of 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one?

The InChIKey is YDILJDLOYDNXEH-NWZINCROSA-N. The full InChI is InChI=1S/C34H37ClFN7O4/c1-19-28-24-14-37-29(19)27-22(25(35)10-26-23(27)15-38-41-26)4-9-45-32(44)47-21-12-33(13-21)5-2-7-42(17-33)30(24)40-31(39-28)46-18-34-6-3-8-43(34)16-20(36)11-34/h10,14-15,20-21H,2-9,11-13,16-18H2,1H3,(H,38,41)/t20-,21?,33?,34+/m1/s1.

What are the key properties of 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one?

10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one has a molecular weight of 662.17 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-chloro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-32-methyl-4,6-dioxa-13,14,19,23,25,27-hexazaheptacyclo[25.3.1.11,3.118,22.09,17.012,16.021,26]tritriaconta-9,11,14,16,18,20,22(32),23,25-nonaen-5-one is sourced from PubChem (CID 177329898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).