1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea

C95H110N16O5 — CID 158701429

About 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea

1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea (PubChem CID 158701429) has the molecular formula C95H110N16O5 and a molecular weight of 1556.03 g/mol. Its IUPAC name is 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea.

Molecular Properties

• Compound Name: 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea
• PubChem CID: 158701429
• Molecular Formula: C95H110N16O5
• Molecular Weight: 1556.03 g/mol
• Exact Mass: 1554.88
• IUPAC Name: 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea
• SMILES: CCC(=O)NCc1ccc(CN2CCOCC2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3ccccc3)ccc2CNC(=O)NC)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(CN3CCOCC3)ccc2CNC(=O)NC)cc1
• InChI: InChI=1S/C32H39N5O2.C32H33N5O.C31H38N6O2/c1-5-29-35-31-22(3)17-23(4)34-32(31)37(29)21-24-7-10-26(11-8-24)28-18-25(20-36-13-15-39-16-14-36)9-12-27(28)19-33-30(38)6-2;1-5-29-36-30-21(2)17-22(3)35-31(30)37(29)20-23-11-13-25(14-12-23)28-18-26(24-9-7-6-8-10-24)15-16-27(28)19-34-32(38)33-4;1-5-28-35-29-21(2)16-22(3)34-30(29)37(28)20-23-6-9-25(10-7-23)27-17-24(19-36-12-14-39-15-13-36)8-11-26(27)18-33-31(38)32-4/h7-12,17-18H,5-6,13-16,19-21H2,1-4H3,(H,33,38);6-18H,5,19-20H2,1-4H3,(H2,33,34,38);6-11,16-17H,5,12-15,18-20H2,1-4H3,(H2,32,33,38)
• InChIKey: IHPARQUKQGBFSI-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 228.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1556.03
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea?

The IUPAC name of 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea (CID 158701429) is 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea.

What is the SMILES notation for 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea?

The canonical SMILES for 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea is CCC(=O)NCc1ccc(CN2CCOCC2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3ccccc3)ccc2CNC(=O)NC)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(CN3CCOCC3)ccc2CNC(=O)NC)cc1.

What is the InChIKey of 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea?

The InChIKey is IHPARQUKQGBFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2.C32H33N5O.C31H38N6O2/c1-5-29-35-31-22(3)17-23(4)34-32(31)37(29)21-24-7-10-26(11-8-24)28-18-25(20-36-13-15-39-16-14-36)9-12-27(28)19-33-30(38)6-2;1-5-29-36-30-21(2)17-22(3)35-31(30)37(29)20-23-11-13-25(14-12-23)28-18-26(24-9-7-6-8-10-24)15-16-27(28)19-34-32(38)33-4;1-5-28-35-29-21(2)16-22(3)34-30(29)37(28)20-23-6-9-25(10-7-23)27-17-24(19-36-12-14-39-15-13-36)8-11-26(27)18-33-31(38)32-4/h7-12,17-18H,5-6,13-16,19-21H2,1-4H3,(H,33,38);6-18H,5,19-20H2,1-4H3,(H2,33,34,38);6-11,16-17H,5,12-15,18-20H2,1-4H3,(H2,32,33,38).

What are the key properties of 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea?

1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea has a molecular weight of 1556.03 g/mol, XLogP of 16.19, 24 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylurea;N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide;1-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]-3-methylurea is sourced from PubChem (CID 158701429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).