2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine

C17H24N4 — CID 75615034

IUPAC2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESc1cnc2nc(C3CCN(CC4CCCCC4)C3)[nH]c2c1
InChIInChI=1S/C17H24N4/c1-2-5-13(6-3-1)11-21-10-8-14(12-21)16-19-15-7-4-9-18-17(15)20-16/h4,7,9,13-14H,1-3,5-6,8,10-12H2,(H,18,19,20)
InChIKeyYWZDCCAMBWWCFD-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.33
Rot. Bonds3

About 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine

2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 75615034) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID75615034
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESc1cnc2nc(C3CCN(CC4CCCCC4)C3)[nH]c2c1
InChIInChI=1S/C17H24N4/c1-2-5-13(6-3-1)11-21-10-8-14(12-21)16-19-15-7-4-9-18-17(15)20-16/h4,7,9,13-14H,1-3,5-6,8,10-12H2,(H,18,19,20)
InChIKeyYWZDCCAMBWWCFD-UHFFFAOYSA-N
XLogP3.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine (CID 75615034) is 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine is c1cnc2nc(C3CCN(CC4CCCCC4)C3)[nH]c2c1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is YWZDCCAMBWWCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-5-13(6-3-1)11-21-10-8-14(12-21)16-19-15-7-4-9-18-17(15)20-16/h4,7,9,13-14H,1-3,5-6,8,10-12H2,(H,18,19,20).
What are the key properties of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 284.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 75615034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).