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

C23H22FN7O — CID 137287324

IUPAC1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol
SMILESCCCCC(O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5ncccc5[nH]4)c3c2)c1
InChIInChI=1S/C23H22FN7O/c1-2-3-6-19(32)27-15-8-14(11-25-12-15)13-9-16-20(17(24)10-13)30-31-21(16)23-28-18-5-4-7-26-22(18)29-23/h4-5,7-12,19,27,32H,2-3,6H2,1H3,(H,30,31)(H,26,28,29)
InChIKeySLZLDEAXENPHPS-UHFFFAOYSA-N
MW431.48 g/mol
LogP4.62
Rot. Bonds7

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

1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol (PubChem CID 137287324) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol
PubChem CID137287324
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol
SMILESCCCCC(O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5ncccc5[nH]4)c3c2)c1
InChIInChI=1S/C23H22FN7O/c1-2-3-6-19(32)27-15-8-14(11-25-12-15)13-9-16-20(17(24)10-13)30-31-21(16)23-28-18-5-4-7-26-22(18)29-23/h4-5,7-12,19,27,32H,2-3,6H2,1H3,(H,30,31)(H,26,28,29)
InChIKeySLZLDEAXENPHPS-UHFFFAOYSA-N
XLogP4.62
TPSA115.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 54.62
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-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-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-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137255131
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-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134469
1-[[5-[7-fluoro-3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 138612336
cyclobutyl-[[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]methanol
CID 137287319
[[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol
CID 137316559
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
3,3-dimethyl-1-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137130516
5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134544
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
3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137257278

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 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) is 1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol is CCCCC(O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5ncccc5[nH]4)c3c2)c1.
What is the InChIKey of 1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol?
The InChIKey is SLZLDEAXENPHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-2-3-6-19(32)27-15-8-14(11-25-12-15)13-9-16-20(17(24)10-13)30-31-21(16)23-28-18-5-4-7-26-22(18)29-23/h4-5,7-12,19,27,32H,2-3,6H2,1H3,(H,30,31)(H,26,28,29).
What are the key properties of 1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol?
1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol has a molecular weight of 431.48 g/mol, XLogP of 4.62, 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-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 137287324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).