N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide

C23H21N5O2 — CID 44591557

IUPACN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2ncccc2[nH]1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H21N5O2/c29-23(16-7-9-17(10-8-16)28-12-14-30-15-13-28)26-19-5-2-1-4-18(19)21-25-20-6-3-11-24-22(20)27-21/h1-11H,12-15H2,(H,26,29)(H,24,25,27)
InChIKeyKXCBHWKUBDQTFV-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.71
Rot. Bonds4

About N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide

N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide (PubChem CID 44591557) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide
PubChem CID44591557
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2ncccc2[nH]1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H21N5O2/c29-23(16-7-9-17(10-8-16)28-12-14-30-15-13-28)26-19-5-2-1-4-18(19)21-25-20-6-3-11-24-22(20)27-21/h1-11H,12-15H2,(H,26,29)(H,24,25,27)
InChIKeyKXCBHWKUBDQTFV-UHFFFAOYSA-N
XLogP3.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide (CID 44591557) is N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide is O=C(Nc1ccccc1-c1nc2ncccc2[nH]1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide?
The InChIKey is KXCBHWKUBDQTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(16-7-9-17(10-8-16)28-12-14-30-15-13-28)26-19-5-2-1-4-18(19)21-25-20-6-3-11-24-22(20)27-21/h1-11H,12-15H2,(H,26,29)(H,24,25,27).
What are the key properties of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide?
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide has a molecular weight of 399.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 44591557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).