3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol

C32H24FN7O — CID 136937149

IUPAC3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)nc23)c1
InChIInChI=1S/C32H24FN7O/c33-24-11-22(12-25(41)14-24)29-31-28(8-9-36-29)37-32(38-31)30-26-13-21(6-7-27(26)39-40-30)23-10-20(17-35-18-23)16-34-15-19-4-2-1-3-5-19/h1-14,17-18,34,41H,15-16H2,(H,37,38)(H,39,40)
InChIKeyCOLJMUIRLQXPLA-UHFFFAOYSA-N
MW541.59 g/mol
LogP6.36
Rot. Bonds7

About 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol

3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol (PubChem CID 136937149) has the molecular formula C32H24FN7O and a molecular weight of 541.59 g/mol. Its IUPAC name is 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
PubChem CID136937149
Molecular FormulaC32H24FN7O
Molecular Weight541.59 g/mol
Exact Mass541.20
IUPAC Name3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)nc23)c1
InChIInChI=1S/C32H24FN7O/c33-24-11-22(12-25(41)14-24)29-31-28(8-9-36-29)37-32(38-31)30-26-13-21(6-7-27(26)39-40-30)23-10-20(17-35-18-23)16-34-15-19-4-2-1-3-5-19/h1-14,17-18,34,41H,15-16H2,(H,37,38)(H,39,40)
InChIKeyCOLJMUIRLQXPLA-UHFFFAOYSA-N
XLogP6.36
TPSA115.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.59
LogP ≤ 56.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

CID 46880075
CID 46880075
CID 46880102
CID 46880102
CID 46880104
CID 46880104
CID 127046394
CID 127046394
CID 137645020
CID 137645020
CID 9566753
CID 9566753
CID 9567177
CID 9567177
CID 57406046
CID 57406046
CID 135223478
CID 135223478
CID 135227359
CID 135227359
CID 136088607
CID 136088607
CID 137223928
CID 137223928

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The IUPAC name of 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol (CID 136937149) is 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol is Oc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)nc23)c1.
What is the InChIKey of 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
The InChIKey is COLJMUIRLQXPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN7O/c33-24-11-22(12-25(41)14-24)29-31-28(8-9-36-29)37-32(38-31)30-26-13-21(6-7-27(26)39-40-30)23-10-20(17-35-18-23)16-34-15-19-4-2-1-3-5-19/h1-14,17-18,34,41H,15-16H2,(H,37,38)(H,39,40).
What are the key properties of 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol?
3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol has a molecular weight of 541.59 g/mol, XLogP of 6.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol is sourced from PubChem (CID 136937149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).