methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

C43H50N8O5 — CID 144904290

About methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 144904290) has the molecular formula C43H50N8O5 and a molecular weight of 758.92 g/mol. Its IUPAC name is methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

• Compound Name: methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
• PubChem CID: 144904290
• Molecular Formula: C43H50N8O5
• Molecular Weight: 758.92 g/mol
• Exact Mass: 758.39
• IUPAC Name: methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
• SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc[nH]4)cc3)cc2)[nH]1)C(C)OC.O=C(NCc1ccccn1)C1CC2CCC1C2
• InChI: InChI=1S/C29H32N6O4.C14H18N2O/c1-18(38-2)26(34-29(37)39-3)28(36)35-14-4-5-25(35)27-31-16-24(33-27)22-12-8-20(9-13-22)19-6-10-21(11-7-19)23-15-30-17-32-23;17-14(13-8-10-4-5-11(13)7-10)16-9-12-3-1-2-6-15-12/h6-13,15-18,25-26H,4-5,14H2,1-3H3,(H,30,32)(H,31,33)(H,34,37);1-3,6,10-11,13H,4-5,7-9H2,(H,16,17)
• InChIKey: XRZQGGUTPWFYAX-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 167.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.92
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?

The IUPAC name of methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 144904290) is methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

What is the SMILES notation for methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?

The canonical SMILES for methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc[nH]4)cc3)cc2)[nH]1)C(C)OC.O=C(NCc1ccccn1)C1CC2CCC1C2.

What is the InChIKey of methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?

The InChIKey is XRZQGGUTPWFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4.C14H18N2O/c1-18(38-2)26(34-29(37)39-3)28(36)35-14-4-5-25(35)27-31-16-24(33-27)22-12-8-20(9-13-22)19-6-10-21(11-7-19)23-15-30-17-32-23;17-14(13-8-10-4-5-11(13)7-10)16-9-12-3-1-2-6-15-12/h6-13,15-18,25-26H,4-5,14H2,1-3H3,(H,30,32)(H,31,33)(H,34,37);1-3,6,10-11,13H,4-5,7-9H2,(H,16,17).

What are the key properties of methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?

methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 758.92 g/mol, XLogP of 6.69, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 144904290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).