4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine

C23H21ClFN5O — CID 169102970

IUPAC4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine
SMILESFc1ccc(CCc2nc3ncc(-c4cc(N5CCOCC5)ncc4Cl)cc3[nH]2)cc1
InChIInChI=1S/C23H21ClFN5O/c24-19-14-26-22(30-7-9-31-10-8-30)12-18(19)16-11-20-23(27-13-16)29-21(28-20)6-3-15-1-4-17(25)5-2-15/h1-2,4-5,11-14H,3,6-10H2,(H,27,28,29)
InChIKeyXANOLFLJPVJINH-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.43
Rot. Bonds5

About 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine

4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine (PubChem CID 169102970) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine
PubChem CID169102970
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC Name4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine
SMILESFc1ccc(CCc2nc3ncc(-c4cc(N5CCOCC5)ncc4Cl)cc3[nH]2)cc1
InChIInChI=1S/C23H21ClFN5O/c24-19-14-26-22(30-7-9-31-10-8-30)12-18(19)16-11-20-23(27-13-16)29-21(28-20)6-3-15-1-4-17(25)5-2-15/h1-2,4-5,11-14H,3,6-10H2,(H,27,28,29)
InChIKeyXANOLFLJPVJINH-UHFFFAOYSA-N
XLogP4.43
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine (CID 169102970) is 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine is Fc1ccc(CCc2nc3ncc(-c4cc(N5CCOCC5)ncc4Cl)cc3[nH]2)cc1.
What is the InChIKey of 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine?
The InChIKey is XANOLFLJPVJINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c24-19-14-26-22(30-7-9-31-10-8-30)12-18(19)16-11-20-23(27-13-16)29-21(28-20)6-3-15-1-4-17(25)5-2-15/h1-2,4-5,11-14H,3,6-10H2,(H,27,28,29).
What are the key properties of 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine?
4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine has a molecular weight of 437.91 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-[2-[2-(4-fluorophenyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 169102970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).