N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide

C19H21ClN4O2 — CID 118692499

IUPACN-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide
SMILESO=C(CCOC1CCCCC1)Nc1nc2ccc(Cl)nc2n1C1=CC=C1
InChIInChI=1S/C19H21ClN4O2/c20-16-10-9-15-18(22-16)24(13-5-4-6-13)19(21-15)23-17(25)11-12-26-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,21,23,25)
InChIKeyMSXYGTJAXUBEEK-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.17
Rot. Bonds6

About N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide

N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide (PubChem CID 118692499) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide.

Molecular Properties

Compound NameN-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide
PubChem CID118692499
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide
SMILESO=C(CCOC1CCCCC1)Nc1nc2ccc(Cl)nc2n1C1=CC=C1
InChIInChI=1S/C19H21ClN4O2/c20-16-10-9-15-18(22-16)24(13-5-4-6-13)19(21-15)23-17(25)11-12-26-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,21,23,25)
InChIKeyMSXYGTJAXUBEEK-UHFFFAOYSA-N
XLogP4.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.17
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 N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide?
The IUPAC name of N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide (CID 118692499) is N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide.
What is the SMILES notation for N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide?
The canonical SMILES for N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide is O=C(CCOC1CCCCC1)Nc1nc2ccc(Cl)nc2n1C1=CC=C1.
What is the InChIKey of N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide?
The InChIKey is MSXYGTJAXUBEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-16-10-9-15-18(22-16)24(13-5-4-6-13)19(21-15)23-17(25)11-12-26-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,21,23,25).
What are the key properties of N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide?
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide has a molecular weight of 372.86 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide is sourced from PubChem (CID 118692499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).