3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol

C27H26FN7O — CID 166552446

IUPAC3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(Cc5cn[nH]c5)CC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C27H26FN7O/c1-2-17-11-19(36)3-4-20(17)21-5-6-22-25(24(21)28)33-34-26(22)27-29-14-23(32-27)18-7-9-35(10-8-18)15-16-12-30-31-13-16/h3-7,11-14,36H,2,8-10,15H2,1H3,(H,29,32)(H,30,31)(H,33,34)
InChIKeyPLRVGNZRLBWPOF-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.04
Rot. Bonds6

About 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol

3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol (PubChem CID 166552446) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
PubChem CID166552446
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(Cc5cn[nH]c5)CC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C27H26FN7O/c1-2-17-11-19(36)3-4-20(17)21-5-6-22-25(24(21)28)33-34-26(22)27-29-14-23(32-27)18-7-9-35(10-8-18)15-16-12-30-31-13-16/h3-7,11-14,36H,2,8-10,15H2,1H3,(H,29,32)(H,30,31)(H,33,34)
InChIKeyPLRVGNZRLBWPOF-UHFFFAOYSA-N
XLogP5.04
TPSA109.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The IUPAC name of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol (CID 166552446) is 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol.
What is the SMILES notation for 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The canonical SMILES for 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(Cc5cn[nH]c5)CC4)[nH]3)[nH]nc2c1F.
What is the InChIKey of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The InChIKey is PLRVGNZRLBWPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-2-17-11-19(36)3-4-20(17)21-5-6-22-25(24(21)28)33-34-26(22)27-29-14-23(32-27)18-7-9-35(10-8-18)15-16-12-30-31-13-16/h3-7,11-14,36H,2,8-10,15H2,1H3,(H,29,32)(H,30,31)(H,33,34).
What are the key properties of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol has a molecular weight of 483.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol is sourced from PubChem (CID 166552446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).