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

C27H26FN7O — CID 166552421

IUPAC3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(Cc5ccn[nH]5)CC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C27H26FN7O/c1-2-16-13-19(36)3-4-20(16)21-5-6-22-25(24(21)28)33-34-26(22)27-29-14-23(31-27)17-8-11-35(12-9-17)15-18-7-10-30-32-18/h3-8,10,13-14,36H,2,9,11-12,15H2,1H3,(H,29,31)(H,30,32)(H,33,34)
InChIKeyWKYSEDGXMPVKMV-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.04
Rot. Bonds6

About 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-5-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-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol (PubChem CID 166552421) 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-5-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-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
PubChem CID166552421
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(Cc5ccn[nH]5)CC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C27H26FN7O/c1-2-16-13-19(36)3-4-20(16)21-5-6-22-25(24(21)28)33-34-26(22)27-29-14-23(31-27)17-8-11-35(12-9-17)15-18-7-10-30-32-18/h3-8,10,13-14,36H,2,9,11-12,15H2,1H3,(H,29,31)(H,30,32)(H,33,34)
InChIKeyWKYSEDGXMPVKMV-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-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol with MolForge

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Related Compounds

CID 135567296
CID 135567296
CID 135567293
CID 135567293
CID 136263939
CID 136263939
CID 137656346
CID 137656346
CID 135928472
CID 135928472
CID 137645020
CID 137645020
CID 137657080
CID 137657080
CID 57406046
CID 57406046
CID 122531784
CID 122531784
CID 135779185
CID 135779185
CID 135839328
CID 135839328
CID 137223928
CID 137223928

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-5-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-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol (CID 166552421) is 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-5-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-5-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-5-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(Cc5ccn[nH]5)CC4)[nH]3)[nH]nc2c1F.
What is the InChIKey of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The InChIKey is WKYSEDGXMPVKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-2-16-13-19(36)3-4-20(16)21-5-6-22-25(24(21)28)33-34-26(22)27-29-14-23(31-27)17-8-11-35(12-9-17)15-18-7-10-30-32-18/h3-8,10,13-14,36H,2,9,11-12,15H2,1H3,(H,29,31)(H,30,32)(H,33,34).
What are the key properties of 3-ethyl-4-[7-fluoro-3-[5-[1-(1H-pyrazol-5-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-5-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-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol is sourced from PubChem (CID 166552421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).