5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol

C26H29FN6O — CID 137223934

IUPAC5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C3CCCNC3)CC4)n[nH]c2c1
InChIInChI=1S/C26H29FN6O/c1-2-15-11-24(34)20(27)12-19(15)16-5-6-18-22(10-16)31-32-25(18)26-29-21-7-9-33(14-23(21)30-26)17-4-3-8-28-13-17/h5-6,10-12,17,28,34H,2-4,7-9,13-14H2,1H3,(H,29,30)(H,31,32)
InChIKeySLJXNURKYXIUKJ-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.14
Rot. Bonds4

About 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol

5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol (PubChem CID 137223934) has the molecular formula C26H29FN6O and a molecular weight of 460.56 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
PubChem CID137223934
Molecular FormulaC26H29FN6O
Molecular Weight460.56 g/mol
Exact Mass460.24
IUPAC Name5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C3CCCNC3)CC4)n[nH]c2c1
InChIInChI=1S/C26H29FN6O/c1-2-15-11-24(34)20(27)12-19(15)16-5-6-18-22(10-16)31-32-25(18)26-29-21-7-9-33(14-23(21)30-26)17-4-3-8-28-13-17/h5-6,10-12,17,28,34H,2-4,7-9,13-14H2,1H3,(H,29,30)(H,31,32)
InChIKeySLJXNURKYXIUKJ-UHFFFAOYSA-N
XLogP4.14
TPSA92.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?
The IUPAC name of 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol (CID 137223934) is 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol.
What is the SMILES notation for 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?
The canonical SMILES for 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C3CCCNC3)CC4)n[nH]c2c1.
What is the InChIKey of 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?
The InChIKey is SLJXNURKYXIUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O/c1-2-15-11-24(34)20(27)12-19(15)16-5-6-18-22(10-16)31-32-25(18)26-29-21-7-9-33(14-23(21)30-26)17-4-3-8-28-13-17/h5-6,10-12,17,28,34H,2-4,7-9,13-14H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?
5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol has a molecular weight of 460.56 g/mol, XLogP of 4.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-[3-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 137223934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).