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

C28H23F2N7O — CID 137255131

IUPAC1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
SMILESCCCC(O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H23F2N7O/c1-2-3-23(38)33-19-10-17(13-31-14-19)16-11-20-25(21(30)12-16)36-37-26(20)28-34-22-8-9-32-24(27(22)35-28)15-4-6-18(29)7-5-15/h4-14,23,33,38H,2-3H2,1H3,(H,34,35)(H,36,37)
InChIKeyUOJYTBSXVZIQCQ-UHFFFAOYSA-N
MW511.54 g/mol
LogP6.04
Rot. Bonds7

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

1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol (PubChem CID 137255131) has the molecular formula C28H23F2N7O and a molecular weight of 511.54 g/mol. Its IUPAC name is 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
PubChem CID137255131
Molecular FormulaC28H23F2N7O
Molecular Weight511.54 g/mol
Exact Mass511.19
IUPAC Name1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
SMILESCCCC(O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H23F2N7O/c1-2-3-23(38)33-19-10-17(13-31-14-19)16-11-20-25(21(30)12-16)36-37-26(20)28-34-22-8-9-32-24(27(22)35-28)15-4-6-18(29)7-5-15/h4-14,23,33,38H,2-3H2,1H3,(H,34,35)(H,36,37)
InChIKeyUOJYTBSXVZIQCQ-UHFFFAOYSA-N
XLogP6.04
TPSA115.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.54
LogP ≤ 56.04
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-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol with MolForge

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Related Compounds

1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol
CID 137284252
1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol
CID 137287324
1-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]pentan-1-ol
CID 137313879
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136935915
N-[5-[7-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136935643
4-(4-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935553
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136935903
N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136935635
2-[7-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazol-3-yl]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-1H-imidazo[4,5-c]pyridin-4-amine
CID 137255099
N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136938383
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136935743
N-[5-[7-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136935652

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol?
The IUPAC name of 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol (CID 137255131) is 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol is CCCC(O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol?
The InChIKey is UOJYTBSXVZIQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N7O/c1-2-3-23(38)33-19-10-17(13-31-14-19)16-11-20-25(21(30)12-16)36-37-26(20)28-34-22-8-9-32-24(27(22)35-28)15-4-6-18(29)7-5-15/h4-14,23,33,38H,2-3H2,1H3,(H,34,35)(H,36,37).
What are the key properties of 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol?
1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol has a molecular weight of 511.54 g/mol, XLogP of 6.04, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 137255131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).