5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

C22H22ClN5O2S — CID 134456291

IUPAC5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nccs1
InChIInChI=1S/C22H22ClN5O2S/c1-13-25-19-16(12-17(23)27-21(19)28(13)18-8-3-4-10-30-18)26-15-7-5-6-14(20(15)29-2)22-24-9-11-31-22/h5-7,9,11-12,18H,3-4,8,10H2,1-2H3,(H,26,27)
InChIKeyFGPNRRGRAAWWOY-UHFFFAOYSA-N
MW455.97 g/mol
LogP5.97
Rot. Bonds5

About 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134456291) has the molecular formula C22H22ClN5O2S and a molecular weight of 455.97 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
PubChem CID134456291
Molecular FormulaC22H22ClN5O2S
Molecular Weight455.97 g/mol
Exact Mass455.12
IUPAC Name5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nccs1
InChIInChI=1S/C22H22ClN5O2S/c1-13-25-19-16(12-17(23)27-21(19)28(13)18-8-3-4-10-30-18)26-15-7-5-6-14(20(15)29-2)22-24-9-11-31-22/h5-7,9,11-12,18H,3-4,8,10H2,1-2H3,(H,26,27)
InChIKeyFGPNRRGRAAWWOY-UHFFFAOYSA-N
XLogP5.97
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.97
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134456291) is 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nccs1.
What is the InChIKey of 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is FGPNRRGRAAWWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2S/c1-13-25-19-16(12-17(23)27-21(19)28(13)18-8-3-4-10-30-18)26-15-7-5-6-14(20(15)29-2)22-24-9-11-31-22/h5-7,9,11-12,18H,3-4,8,10H2,1-2H3,(H,26,27).
What are the key properties of 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 455.97 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134456291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).