1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one

C32H32FN9O3 — CID 137218510

IUPAC1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)c3cnc(NCCN5CCCC5=O)cn3)CC4)n[nH]c2c1
InChIInChI=1S/C32H32FN9O3/c1-2-18-13-27(43)22(33)14-21(18)19-5-6-20-24(12-19)39-40-30(20)31-37-23-7-10-42(17-26(23)38-31)32(45)25-15-36-28(16-35-25)34-8-11-41-9-3-4-29(41)44/h5-6,12-16,43H,2-4,7-11,17H2,1H3,(H,34,36)(H,37,38)(H,39,40)
InChIKeyCUSQLCUQRNMLKG-UHFFFAOYSA-N
MW609.67 g/mol
LogP4.05
Rot. Bonds8

About 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one

1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one (PubChem CID 137218510) has the molecular formula C32H32FN9O3 and a molecular weight of 609.67 g/mol. Its IUPAC name is 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one
PubChem CID137218510
Molecular FormulaC32H32FN9O3
Molecular Weight609.67 g/mol
Exact Mass609.26
IUPAC Name1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)c3cnc(NCCN5CCCC5=O)cn3)CC4)n[nH]c2c1
InChIInChI=1S/C32H32FN9O3/c1-2-18-13-27(43)22(33)14-21(18)19-5-6-20-24(12-19)39-40-30(20)31-37-23-7-10-42(17-26(23)38-31)32(45)25-15-36-28(16-35-25)34-8-11-41-9-3-4-29(41)44/h5-6,12-16,43H,2-4,7-11,17H2,1H3,(H,34,36)(H,37,38)(H,39,40)
InChIKeyCUSQLCUQRNMLKG-UHFFFAOYSA-N
XLogP4.05
TPSA156.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.67
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one (CID 137218510) is 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)c3cnc(NCCN5CCCC5=O)cn3)CC4)n[nH]c2c1.
What is the InChIKey of 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is CUSQLCUQRNMLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN9O3/c1-2-18-13-27(43)22(33)14-21(18)19-5-6-20-24(12-19)39-40-30(20)31-37-23-7-10-42(17-26(23)38-31)32(45)25-15-36-28(16-35-25)34-8-11-41-9-3-4-29(41)44/h5-6,12-16,43H,2-4,7-11,17H2,1H3,(H,34,36)(H,37,38)(H,39,40).
What are the key properties of 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one?
1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 609.67 g/mol, XLogP of 4.05, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 137218510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).