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

C25H27FN6O — CID 137223939

IUPAC5-ethyl-2-fluoro-4-[3-(5-pyrrolidin-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(C3CCNC3)CC4)n[nH]c2c1
InChIInChI=1S/C25H27FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)16-5-7-27-12-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3,(H,28,29)(H,30,31)
InChIKeyHABNRCDBMMDTDR-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.75
Rot. Bonds4

About 5-ethyl-2-fluoro-4-[3-(5-pyrrolidin-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-pyrrolidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol (PubChem CID 137223939) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-[3-(5-pyrrolidin-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-pyrrolidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
PubChem CID137223939
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name5-ethyl-2-fluoro-4-[3-(5-pyrrolidin-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(C3CCNC3)CC4)n[nH]c2c1
InChIInChI=1S/C25H27FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)16-5-7-27-12-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3,(H,28,29)(H,30,31)
InChIKeyHABNRCDBMMDTDR-UHFFFAOYSA-N
XLogP3.75
TPSA92.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-[3-(5-pyrrolidin-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-pyrrolidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol (CID 137223939) is 5-ethyl-2-fluoro-4-[3-(5-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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(C3CCNC3)CC4)n[nH]c2c1.
What is the InChIKey of 5-ethyl-2-fluoro-4-[3-(5-pyrrolidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?
The InChIKey is HABNRCDBMMDTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)16-5-7-27-12-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 5-ethyl-2-fluoro-4-[3-(5-pyrrolidin-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-pyrrolidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol has a molecular weight of 446.53 g/mol, XLogP of 3.75, 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-pyrrolidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 137223939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).