(3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide

C18H25ClN4O2 — CID 90447968

IUPAC(3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide
SMILESC[C@H](CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)OC(C)(C)C
InChIInChI=1S/C18H25ClN4O2/c1-11(25-18(2,3)4)10-15(24)22-17-20-13-8-9-14(19)21-16(13)23(17)12-6-5-7-12/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,22,24)/t11-/m1/s1
InChIKeyMQIMPXMZKJVROW-LLVKDONJSA-N
MW364.88 g/mol
LogP4.34
Rot. Bonds5

About (3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide

(3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 90447968) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is (3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide
PubChem CID90447968
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name(3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide
SMILESC[C@H](CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)OC(C)(C)C
InChIInChI=1S/C18H25ClN4O2/c1-11(25-18(2,3)4)10-15(24)22-17-20-13-8-9-14(19)21-16(13)23(17)12-6-5-7-12/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,22,24)/t11-/m1/s1
InChIKeyMQIMPXMZKJVROW-LLVKDONJSA-N
XLogP4.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide?
The IUPAC name of (3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide (CID 90447968) is (3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide.
What is the SMILES notation for (3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide?
The canonical SMILES for (3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide is C[C@H](CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)OC(C)(C)C.
What is the InChIKey of (3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide?
The InChIKey is MQIMPXMZKJVROW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-11(25-18(2,3)4)10-15(24)22-17-20-13-8-9-14(19)21-16(13)23(17)12-6-5-7-12/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,22,24)/t11-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide?
(3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 364.88 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 90447968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).