N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide

C26H26ClN5O2 — CID 71626484

IUPACN-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Oc2c(Cl)cnc3nc(-c4ccc(CN(CC)CC)cc4)[nH]c23)c1
InChIInChI=1S/C26H26ClN5O2/c1-4-22(33)29-19-8-7-9-20(14-19)34-24-21(27)15-28-26-23(24)30-25(31-26)18-12-10-17(11-13-18)16-32(5-2)6-3/h4,7-15H,1,5-6,16H2,2-3H3,(H,29,33)(H,28,30,31)
InChIKeyQAHNGWCWXWTYQA-UHFFFAOYSA-N
MW475.98 g/mol
LogP6.04
Rot. Bonds9

About N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide

N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide (PubChem CID 71626484) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide
PubChem CID71626484
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC NameN-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Oc2c(Cl)cnc3nc(-c4ccc(CN(CC)CC)cc4)[nH]c23)c1
InChIInChI=1S/C26H26ClN5O2/c1-4-22(33)29-19-8-7-9-20(14-19)34-24-21(27)15-28-26-23(24)30-25(31-26)18-12-10-17(11-13-18)16-32(5-2)6-3/h4,7-15H,1,5-6,16H2,2-3H3,(H,29,33)(H,28,30,31)
InChIKeyQAHNGWCWXWTYQA-UHFFFAOYSA-N
XLogP6.04
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide (CID 71626484) is N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Oc2c(Cl)cnc3nc(-c4ccc(CN(CC)CC)cc4)[nH]c23)c1.
What is the InChIKey of N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide?
The InChIKey is QAHNGWCWXWTYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c1-4-22(33)29-19-8-7-9-20(14-19)34-24-21(27)15-28-26-23(24)30-25(31-26)18-12-10-17(11-13-18)16-32(5-2)6-3/h4,7-15H,1,5-6,16H2,2-3H3,(H,29,33)(H,28,30,31).
What are the key properties of N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide?
N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide has a molecular weight of 475.98 g/mol, XLogP of 6.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-chloro-2-[4-(diethylaminomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]prop-2-enamide is sourced from PubChem (CID 71626484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).