tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate

C44H47N7O4 — CID 78032814

About tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (PubChem CID 78032814) has the molecular formula C44H47N7O4 and a molecular weight of 737.91 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
• PubChem CID: 78032814
• Molecular Formula: C44H47N7O4
• Molecular Weight: 737.91 g/mol
• Exact Mass: 737.37
• IUPAC Name: tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(N6CCOC(COCc7ccccc7)C6)c5)nc43)cc2)CCC1
• InChI: InChI=1S/C44H47N7O4/c1-43(2,3)55-42(52)49-44(21-9-22-44)32-15-17-33(18-16-32)51-40(36-14-8-23-46-39(36)45)48-38-20-19-37(47-41(38)51)31-12-7-13-34(26-31)50-24-25-54-35(27-50)29-53-28-30-10-5-4-6-11-30/h4-8,10-20,23,26,35H,9,21-22,24-25,27-29H2,1-3H3,(H2,45,46)(H,49,52)
• InChIKey: YWGQQAPSTDRIQP-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 129.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.91
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?

The IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (CID 78032814) is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(N6CCOC(COCc7ccccc7)C6)c5)nc43)cc2)CCC1.

What is the InChIKey of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?

The InChIKey is YWGQQAPSTDRIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N7O4/c1-43(2,3)55-42(52)49-44(21-9-22-44)32-15-17-33(18-16-32)51-40(36-14-8-23-46-39(36)45)48-38-20-19-37(47-41(38)51)31-12-7-13-34(26-31)50-24-25-54-35(27-50)29-53-28-30-10-5-4-6-11-30/h4-8,10-20,23,26,35H,9,21-22,24-25,27-29H2,1-3H3,(H2,45,46)(H,49,52).

What are the key properties of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?

tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 737.91 g/mol, XLogP of 8.06, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 78032814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).