[6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

C23H21FN4O — CID 130266369

IUPAC[6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESOCc1cccc(-n2ncc3ccc(-c4cccc(CC5(F)CCC5)n4)cc32)n1
InChIInChI=1S/C23H21FN4O/c24-23(10-3-11-23)13-18-4-1-6-20(26-18)16-8-9-17-14-25-28(21(17)12-16)22-7-2-5-19(15-29)27-22/h1-2,4-9,12,14,29H,3,10-11,13,15H2
InChIKeyGPQYPCBWQHJOGI-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.41
Rot. Bonds5

About [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 130266369) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID130266369
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name[6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESOCc1cccc(-n2ncc3ccc(-c4cccc(CC5(F)CCC5)n4)cc32)n1
InChIInChI=1S/C23H21FN4O/c24-23(10-3-11-23)13-18-4-1-6-20(26-18)16-8-9-17-14-25-28(21(17)12-16)22-7-2-5-19(15-29)27-22/h1-2,4-9,12,14,29H,3,10-11,13,15H2
InChIKeyGPQYPCBWQHJOGI-UHFFFAOYSA-N
XLogP4.41
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (CID 130266369) is [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is OCc1cccc(-n2ncc3ccc(-c4cccc(CC5(F)CCC5)n4)cc32)n1.
What is the InChIKey of [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is GPQYPCBWQHJOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-23(10-3-11-23)13-18-4-1-6-20(26-18)16-8-9-17-14-25-28(21(17)12-16)22-7-2-5-19(15-29)27-22/h1-2,4-9,12,14,29H,3,10-11,13,15H2.
What are the key properties of [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 388.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1-fluorocyclobutyl)methyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 130266369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).