1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol

C32H23F2N7O — CID 137255107

IUPAC1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol
SMILESOC(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C32H23F2N7O/c33-21-8-6-19(7-9-21)29-30-25(12-13-36-29)38-32(39-30)31-27-24(40-41-31)11-10-23(28(27)34)20-15-22(17-35-16-20)37-26(42)14-18-4-2-1-3-5-18/h1-13,15-17,26,37,42H,14H2,(H,38,39)(H,40,41)
InChIKeyGSJKYVQHYJKEHV-UHFFFAOYSA-N
MW559.58 g/mol
LogP6.48
Rot. Bonds7

About 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol

1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol (PubChem CID 137255107) has the molecular formula C32H23F2N7O and a molecular weight of 559.58 g/mol. Its IUPAC name is 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol
PubChem CID137255107
Molecular FormulaC32H23F2N7O
Molecular Weight559.58 g/mol
Exact Mass559.19
IUPAC Name1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol
SMILESOC(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C32H23F2N7O/c33-21-8-6-19(7-9-21)29-30-25(12-13-36-29)38-32(39-30)31-27-24(40-41-31)11-10-23(28(27)34)20-15-22(17-35-16-20)37-26(42)14-18-4-2-1-3-5-18/h1-13,15-17,26,37,42H,14H2,(H,38,39)(H,40,41)
InChIKeyGSJKYVQHYJKEHV-UHFFFAOYSA-N
XLogP6.48
TPSA115.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.58
LogP ≤ 56.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol?
The IUPAC name of 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol (CID 137255107) is 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol.
What is the SMILES notation for 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol?
The canonical SMILES for 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol is OC(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2F)c1.
What is the InChIKey of 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol?
The InChIKey is GSJKYVQHYJKEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F2N7O/c33-21-8-6-19(7-9-21)29-30-25(12-13-36-29)38-32(39-30)31-27-24(40-41-31)11-10-23(28(27)34)20-15-22(17-35-16-20)37-26(42)14-18-4-2-1-3-5-18/h1-13,15-17,26,37,42H,14H2,(H,38,39)(H,40,41).
What are the key properties of 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol?
1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol has a molecular weight of 559.58 g/mol, XLogP of 6.48, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2-phenylethanol is sourced from PubChem (CID 137255107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).