6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine

C16H15ClN4 — CID 176678688

IUPAC6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(N3CCCC3)nc2nc1-c1ccccc1
InChIInChI=1S/C16H15ClN4/c17-12-10-13-15(19-14(12)11-6-2-1-3-7-11)20-16(18-13)21-8-4-5-9-21/h1-3,6-7,10H,4-5,8-9H2,(H,18,19,20)
InChIKeyTYVGSHJUVYPSEA-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.88
Rot. Bonds2

About 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine

6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 176678688) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine
PubChem CID176678688
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(N3CCCC3)nc2nc1-c1ccccc1
InChIInChI=1S/C16H15ClN4/c17-12-10-13-15(19-14(12)11-6-2-1-3-7-11)20-16(18-13)21-8-4-5-9-21/h1-3,6-7,10H,4-5,8-9H2,(H,18,19,20)
InChIKeyTYVGSHJUVYPSEA-UHFFFAOYSA-N
XLogP3.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine (CID 176678688) is 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine is Clc1cc2[nH]c(N3CCCC3)nc2nc1-c1ccccc1.
What is the InChIKey of 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is TYVGSHJUVYPSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-12-10-13-15(19-14(12)11-6-2-1-3-7-11)20-16(18-13)21-8-4-5-9-21/h1-3,6-7,10H,4-5,8-9H2,(H,18,19,20).
What are the key properties of 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine?
6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 298.78 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 176678688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).