N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C28H32FN5O2 — CID 145133130

IUPACN-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCCN(CCO)c1ccc(C(C)NC(=O)CCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C28H32FN5O2/c1-3-33(17-18-35)24-12-8-22(9-13-24)20(2)31-27(36)15-14-26-32-25-5-4-16-30-28(25)34(26)19-21-6-10-23(29)11-7-21/h4-13,16,20,35H,3,14-15,17-19H2,1-2H3,(H,31,36)
InChIKeyFQEODRSLMSKHNI-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.25
Rot. Bonds11

About N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 145133130) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID145133130
Molecular FormulaC28H32FN5O2
Molecular Weight489.60 g/mol
Exact Mass489.25
IUPAC NameN-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCCN(CCO)c1ccc(C(C)NC(=O)CCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C28H32FN5O2/c1-3-33(17-18-35)24-12-8-22(9-13-24)20(2)31-27(36)15-14-26-32-25-5-4-16-30-28(25)34(26)19-21-6-10-23(29)11-7-21/h4-13,16,20,35H,3,14-15,17-19H2,1-2H3,(H,31,36)
InChIKeyFQEODRSLMSKHNI-UHFFFAOYSA-N
XLogP4.25
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 145133130) is N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is CCN(CCO)c1ccc(C(C)NC(=O)CCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is FQEODRSLMSKHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-3-33(17-18-35)24-12-8-22(9-13-24)20(2)31-27(36)15-14-26-32-25-5-4-16-30-28(25)34(26)19-21-6-10-23(29)11-7-21/h4-13,16,20,35H,3,14-15,17-19H2,1-2H3,(H,31,36).
What are the key properties of N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 489.60 g/mol, XLogP of 4.25, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 145133130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).