N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide

C25H21ClFN7O4S — CID 146509427

IUPACN-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide
SMILESCCOc1cccc(-c2nc3nc(Cl)c(NS(=O)c4ccc(F)cn4)nc3n2-c2c(OC)cccc2OC)n1
InChIInChI=1S/C25H21ClFN7O4S/c1-4-38-18-10-5-7-15(29-18)24-32-23-25(34(24)20-16(36-2)8-6-9-17(20)37-3)31-22(21(26)30-23)33-39(35)19-12-11-14(27)13-28-19/h5-13H,4H2,1-3H3,(H,31,33)
InChIKeyIUOYIWCCSBNAHS-UHFFFAOYSA-N
MW570.01 g/mol
LogP4.62
Rot. Bonds9

About N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide

N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide (PubChem CID 146509427) has the molecular formula C25H21ClFN7O4S and a molecular weight of 570.01 g/mol. Its IUPAC name is N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide.

Molecular Properties

Compound NameN-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide
PubChem CID146509427
Molecular FormulaC25H21ClFN7O4S
Molecular Weight570.01 g/mol
Exact Mass569.10
IUPAC NameN-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide
SMILESCCOc1cccc(-c2nc3nc(Cl)c(NS(=O)c4ccc(F)cn4)nc3n2-c2c(OC)cccc2OC)n1
InChIInChI=1S/C25H21ClFN7O4S/c1-4-38-18-10-5-7-15(29-18)24-32-23-25(34(24)20-16(36-2)8-6-9-17(20)37-3)31-22(21(26)30-23)33-39(35)19-12-11-14(27)13-28-19/h5-13H,4H2,1-3H3,(H,31,33)
InChIKeyIUOYIWCCSBNAHS-UHFFFAOYSA-N
XLogP4.62
TPSA126.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.01
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-6-[(5-fluoropyrimidin-2-yl)-(sulfinoamino)methyl]imidazo[4,5-b]pyrazine
CID 174158528
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-N-[(3-fluoro-4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyrazin-6-amine
CID 146509513
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-6-[(4-fluorophenyl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 164968634
1-[[[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]amino]sulfanylmethyl]cyclopropan-1-ol
CID 146509432
N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen
CID 167674783
N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen
CID 167582406
N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
CID 146463237
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-6-[(3-fluorophenyl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 165104258
3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-[(5-fluoropyrimidin-2-yl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 165098917
[5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
CID 175806574
1-[[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]amino]sulfanylpiperidin-4-ol
CID 146509350
3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-N-[(5-fluoro-2-pyridinyl)methylsulfanyl]imidazo[4,5-b]pyrazin-5-amine
CID 146509501

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide?
The IUPAC name of N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide (CID 146509427) is N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide.
What is the SMILES notation for N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide?
The canonical SMILES for N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide is CCOc1cccc(-c2nc3nc(Cl)c(NS(=O)c4ccc(F)cn4)nc3n2-c2c(OC)cccc2OC)n1.
What is the InChIKey of N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide?
The InChIKey is IUOYIWCCSBNAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN7O4S/c1-4-38-18-10-5-7-15(29-18)24-32-23-25(34(24)20-16(36-2)8-6-9-17(20)37-3)31-22(21(26)30-23)33-39(35)19-12-11-14(27)13-28-19/h5-13H,4H2,1-3H3,(H,31,33).
What are the key properties of N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide?
N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide has a molecular weight of 570.01 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-fluoropyridine-2-sulfinamide is sourced from PubChem (CID 146509427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).