(3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide

C21H17ClFN5O2 — CID 130359661

IUPAC(3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide
SMILESC[C@@](O)(CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C21H17ClFN5O2/c1-21(30,16-4-2-3-11-24-16)12-18(29)27-20-25-15-9-10-17(22)26-19(15)28(20)14-7-5-13(23)6-8-14/h2-11,30H,12H2,1H3,(H,25,27,29)/t21-/m1/s1
InChIKeyNRHNJABEYPCBNL-OAQYLSRUSA-N
MW425.85 g/mol
LogP3.84
Rot. Bonds5

About (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide

(3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide (PubChem CID 130359661) has the molecular formula C21H17ClFN5O2 and a molecular weight of 425.85 g/mol. Its IUPAC name is (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide
PubChem CID130359661
Molecular FormulaC21H17ClFN5O2
Molecular Weight425.85 g/mol
Exact Mass425.11
IUPAC Name(3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide
SMILESC[C@@](O)(CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C21H17ClFN5O2/c1-21(30,16-4-2-3-11-24-16)12-18(29)27-20-25-15-9-10-17(22)26-19(15)28(20)14-7-5-13(23)6-8-14/h2-11,30H,12H2,1H3,(H,25,27,29)/t21-/m1/s1
InChIKeyNRHNJABEYPCBNL-OAQYLSRUSA-N
XLogP3.84
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide?
The IUPAC name of (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide (CID 130359661) is (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide.
What is the SMILES notation for (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide?
The canonical SMILES for (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide is C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide?
The InChIKey is NRHNJABEYPCBNL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17ClFN5O2/c1-21(30,16-4-2-3-11-24-16)12-18(29)27-20-25-15-9-10-17(22)26-19(15)28(20)14-7-5-13(23)6-8-14/h2-11,30H,12H2,1H3,(H,25,27,29)/t21-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide?
(3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide has a molecular weight of 425.85 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide is sourced from PubChem (CID 130359661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).