cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol

C31H27F2N7O — CID 137255133

IUPACcyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol
SMILESOC(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C31H27F2N7O/c32-23-9-5-4-8-21(23)27-29-25(10-11-35-27)37-30(38-29)28-22-13-18(14-24(33)26(22)39-40-28)19-12-20(16-34-15-19)36-31(41)17-6-2-1-3-7-17/h4-5,8-17,31,36,41H,1-3,6-7H2,(H,37,38)(H,39,40)
InChIKeyQTIKOXNZSYGRSP-UHFFFAOYSA-N
MW551.60 g/mol
LogP6.82
Rot. Bonds6

About cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol

cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol (PubChem CID 137255133) has the molecular formula C31H27F2N7O and a molecular weight of 551.60 g/mol. Its IUPAC name is cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol.

Molecular Properties

Compound Namecyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol
PubChem CID137255133
Molecular FormulaC31H27F2N7O
Molecular Weight551.60 g/mol
Exact Mass551.22
IUPAC Namecyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol
SMILESOC(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C31H27F2N7O/c32-23-9-5-4-8-21(23)27-29-25(10-11-35-27)37-30(38-29)28-22-13-18(14-24(33)26(22)39-40-28)19-12-20(16-34-15-19)36-31(41)17-6-2-1-3-7-17/h4-5,8-17,31,36,41H,1-3,6-7H2,(H,37,38)(H,39,40)
InChIKeyQTIKOXNZSYGRSP-UHFFFAOYSA-N
XLogP6.82
TPSA115.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.60
LogP ≤ 56.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol?
The IUPAC name of cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol (CID 137255133) is cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol.
What is the SMILES notation for cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol?
The canonical SMILES for cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol is OC(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol?
The InChIKey is QTIKOXNZSYGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2N7O/c32-23-9-5-4-8-21(23)27-29-25(10-11-35-27)37-30(38-29)28-22-13-18(14-24(33)26(22)39-40-28)19-12-20(16-34-15-19)36-31(41)17-6-2-1-3-7-17/h4-5,8-17,31,36,41H,1-3,6-7H2,(H,37,38)(H,39,40).
What are the key properties of cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol?
cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol has a molecular weight of 551.60 g/mol, XLogP of 6.82, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[[5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]methanol is sourced from PubChem (CID 137255133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).