N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline

C18H20N4OS — CID 14839450

IUPACN-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline
SMILESO=S(Cc1ccccc1NC1CCCC1)c1nc2ncccc2[nH]1
InChIInChI=1S/C18H20N4OS/c23-24(18-21-16-10-5-11-19-17(16)22-18)12-13-6-1-4-9-15(13)20-14-7-2-3-8-14/h1,4-6,9-11,14,20H,2-3,7-8,12H2,(H,19,21,22)
InChIKeyCCQIYMPYEZFRDY-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.62
Rot. Bonds5

About N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline

N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline (PubChem CID 14839450) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline.

Molecular Properties

Compound NameN-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline
PubChem CID14839450
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline
SMILESO=S(Cc1ccccc1NC1CCCC1)c1nc2ncccc2[nH]1
InChIInChI=1S/C18H20N4OS/c23-24(18-21-16-10-5-11-19-17(16)22-18)12-13-6-1-4-9-15(13)20-14-7-2-3-8-14/h1,4-6,9-11,14,20H,2-3,7-8,12H2,(H,19,21,22)
InChIKeyCCQIYMPYEZFRDY-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline?
The IUPAC name of N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline (CID 14839450) is N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline.
What is the SMILES notation for N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline?
The canonical SMILES for N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline is O=S(Cc1ccccc1NC1CCCC1)c1nc2ncccc2[nH]1.
What is the InChIKey of N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline?
The InChIKey is CCQIYMPYEZFRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-24(18-21-16-10-5-11-19-17(16)22-18)12-13-6-1-4-9-15(13)20-14-7-2-3-8-14/h1,4-6,9-11,14,20H,2-3,7-8,12H2,(H,19,21,22).
What are the key properties of N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline?
N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline has a molecular weight of 340.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)aniline is sourced from PubChem (CID 14839450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).