5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol

C27H33FN6O — CID 137426013

IUPAC5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(C3=NC4CCN(C5CN(C(C)C)C5)CC4N3)n[nH]c2c1
InChIInChI=1S/C27H33FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,22,24,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyUEUGEYPNGVKZIZ-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.52
Rot. Bonds5

About 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol

5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol (PubChem CID 137426013) has the molecular formula C27H33FN6O and a molecular weight of 476.60 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
PubChem CID137426013
Molecular FormulaC27H33FN6O
Molecular Weight476.60 g/mol
Exact Mass476.27
IUPAC Name5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(C3=NC4CCN(C5CN(C(C)C)C5)CC4N3)n[nH]c2c1
InChIInChI=1S/C27H33FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,22,24,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyUEUGEYPNGVKZIZ-UHFFFAOYSA-N
XLogP3.52
TPSA79.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

Fgfr2-IN-2
CID 157049298
4-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-indazol-6-yl]phenol
CID 166628006
2-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol
CID 166629853
3-fluoro-4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol
CID 166631285
4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol
CID 157049297
5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
CID 136333961
5-ethyl-2-fluoro-4-[3-(5-piperidin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
CID 137223925
4-[3-[5-(azetidin-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137223927
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
4-[3-[5-(3-aminocyclobutyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137223935
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
5-ethyl-2-fluoro-4-[3-[5-(piperidin-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 137223940

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol?
The IUPAC name of 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol (CID 137426013) is 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol is CCc1cc(O)c(F)cc1-c1ccc2c(C3=NC4CCN(C5CN(C(C)C)C5)CC4N3)n[nH]c2c1.
What is the InChIKey of 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol?
The InChIKey is UEUGEYPNGVKZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,22,24,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32).
What are the key properties of 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol?
5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol has a molecular weight of 476.60 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-[3-[5-(1-propan-2-ylazetidin-3-yl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 137426013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).