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

C23H24ClN5O2S — CID 134456639

IUPAC5-chloro-N-[2-methoxy-3-(4-methyl-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-c1nc(C)cs1
InChIInChI=1S/C23H24ClN5O2S/c1-13-12-32-23(25-13)15-7-6-8-16(21(15)30-3)27-17-11-18(24)28-22-20(17)26-14(2)29(22)19-9-4-5-10-31-19/h6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,27,28)
InChIKeyHPRFTISEZBCPLZ-UHFFFAOYSA-N
MW470.00 g/mol
LogP6.28
Rot. Bonds5

About 5-chloro-N-[2-methoxy-3-(4-methyl-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-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134456639) has the molecular formula C23H24ClN5O2S and a molecular weight of 470.00 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(4-methyl-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-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
PubChem CID134456639
Molecular FormulaC23H24ClN5O2S
Molecular Weight470.00 g/mol
Exact Mass469.13
IUPAC Name5-chloro-N-[2-methoxy-3-(4-methyl-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-c1nc(C)cs1
InChIInChI=1S/C23H24ClN5O2S/c1-13-12-32-23(25-13)15-7-6-8-16(21(15)30-3)27-17-11-18(24)28-22-20(17)26-14(2)29(22)19-9-4-5-10-31-19/h6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,27,28)
InChIKeyHPRFTISEZBCPLZ-UHFFFAOYSA-N
XLogP6.28
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.00
LogP ≤ 56.28
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-(4-methyl-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-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134456639) is 5-chloro-N-[2-methoxy-3-(4-methyl-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-(4-methyl-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-(4-methyl-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-c1nc(C)cs1.
What is the InChIKey of 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is HPRFTISEZBCPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2S/c1-13-12-32-23(25-13)15-7-6-8-16(21(15)30-3)27-17-11-18(24)28-22-20(17)26-14(2)29(22)19-9-4-5-10-31-19/h6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,27,28).
What are the key properties of 5-chloro-N-[2-methoxy-3-(4-methyl-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-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 470.00 g/mol, XLogP of 6.28, 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-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134456639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).