6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine

C21H16Cl2FN5O4S — CID 175520463

IUPAC6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(N(c4cc(Cl)cnc4OC)S(=O)O)c3Cl)ccc12
InChIInChI=1S/C21H16Cl2FN5O4S/c1-25-20(30)19-15-5-3-11(9-28(15)10-27-19)17-13(24)4-6-14(18(17)23)29(34(31)32)16-7-12(22)8-26-21(16)33-2/h3-10H,1-2H3,(H,25,30)(H,31,32)
InChIKeyOHDQFBRTRRPMND-UHFFFAOYSA-N
MW524.36 g/mol
LogP4.49
Rot. Bonds6

About 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine

6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine (PubChem CID 175520463) has the molecular formula C21H16Cl2FN5O4S and a molecular weight of 524.36 g/mol. Its IUPAC name is 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine
PubChem CID175520463
Molecular FormulaC21H16Cl2FN5O4S
Molecular Weight524.36 g/mol
Exact Mass523.03
IUPAC Name6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(N(c4cc(Cl)cnc4OC)S(=O)O)c3Cl)ccc12
InChIInChI=1S/C21H16Cl2FN5O4S/c1-25-20(30)19-15-5-3-11(9-28(15)10-27-19)17-13(24)4-6-14(18(17)23)29(34(31)32)16-7-12(22)8-26-21(16)33-2/h3-10H,1-2H3,(H,25,30)(H,31,32)
InChIKeyOHDQFBRTRRPMND-UHFFFAOYSA-N
XLogP4.49
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine?
The IUPAC name of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine (CID 175520463) is 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine is CNC(=O)c1ncn2cc(-c3c(F)ccc(N(c4cc(Cl)cnc4OC)S(=O)O)c3Cl)ccc12.
What is the InChIKey of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine?
The InChIKey is OHDQFBRTRRPMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FN5O4S/c1-25-20(30)19-15-5-3-11(9-28(15)10-27-19)17-13(24)4-6-14(18(17)23)29(34(31)32)16-7-12(22)8-26-21(16)33-2/h3-10H,1-2H3,(H,25,30)(H,31,32).
What are the key properties of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine?
6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine has a molecular weight of 524.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 175520463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).