1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea

C19H24N6O — CID 46331623

IUPAC1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
SMILESCCC(C)NC(=O)NCCCn1c(-c2ccncc2)nc2cccnc21
InChIInChI=1S/C19H24N6O/c1-3-14(2)23-19(26)22-10-5-13-25-17(15-7-11-20-12-8-15)24-16-6-4-9-21-18(16)25/h4,6-9,11-12,14H,3,5,10,13H2,1-2H3,(H2,22,23,26)
InChIKeyLUFDWJCNFDPLGS-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.98
Rot. Bonds7

About 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea

1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea (PubChem CID 46331623) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
PubChem CID46331623
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
SMILESCCC(C)NC(=O)NCCCn1c(-c2ccncc2)nc2cccnc21
InChIInChI=1S/C19H24N6O/c1-3-14(2)23-19(26)22-10-5-13-25-17(15-7-11-20-12-8-15)24-16-6-4-9-21-18(16)25/h4,6-9,11-12,14H,3,5,10,13H2,1-2H3,(H2,22,23,26)
InChIKeyLUFDWJCNFDPLGS-UHFFFAOYSA-N
XLogP2.98
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea with MolForge

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Related Compounds

1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021869
1-butan-2-yl-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331591
1-(4-chlorophenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 50788153
1-(2-chlorophenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 50788145
1-(3,5-dimethoxyphenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 46331611
1-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 50788173
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
1-(3-chlorophenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021921
1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 53019858
N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 53021795
2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53004144

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea?
The IUPAC name of 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea (CID 46331623) is 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea is CCC(C)NC(=O)NCCCn1c(-c2ccncc2)nc2cccnc21.
What is the InChIKey of 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea?
The InChIKey is LUFDWJCNFDPLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-14(2)23-19(26)22-10-5-13-25-17(15-7-11-20-12-8-15)24-16-6-4-9-21-18(16)25/h4,6-9,11-12,14H,3,5,10,13H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea?
1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea has a molecular weight of 352.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea is sourced from PubChem (CID 46331623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).