1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine

C22H21N3S — CID 134241821

IUPAC1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine
SMILESCC(C)Sc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C22H21N3S/c1-14(2)26-22-24-21-20(8-5-13-23-21)25(22)19-12-11-16(15-9-10-15)17-6-3-4-7-18(17)19/h3-8,11-15H,9-10H2,1-2H3
InChIKeyVDIARIQEGDLAEM-UHFFFAOYSA-N
MW359.50 g/mol
LogP5.95
Rot. Bonds4

About 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine

1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine (PubChem CID 134241821) has the molecular formula C22H21N3S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine
PubChem CID134241821
Molecular FormulaC22H21N3S
Molecular Weight359.50 g/mol
Exact Mass359.15
IUPAC Name1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine
SMILESCC(C)Sc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C22H21N3S/c1-14(2)26-22-24-21-20(8-5-13-23-21)25(22)19-12-11-16(15-9-10-15)17-6-3-4-7-18(17)19/h3-8,11-15H,9-10H2,1-2H3
InChIKeyVDIARIQEGDLAEM-UHFFFAOYSA-N
XLogP5.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.50
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine?
The IUPAC name of 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine (CID 134241821) is 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine?
The canonical SMILES for 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine is CC(C)Sc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12.
What is the InChIKey of 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine?
The InChIKey is VDIARIQEGDLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S/c1-14(2)26-22-24-21-20(8-5-13-23-21)25(22)19-12-11-16(15-9-10-15)17-6-3-4-7-18(17)19/h3-8,11-15H,9-10H2,1-2H3.
What are the key properties of 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine?
1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine has a molecular weight of 359.50 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylnaphthalen-1-yl)-2-propan-2-ylsulfanylimidazo[4,5-b]pyridine is sourced from PubChem (CID 134241821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).