5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide

C23H27FN4O2 — CID 16750545

IUPAC5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(-c3ccc(CNCC4(CO)CCCCC4)cc3)nc12
InChIInChI=1S/C23H27FN4O2/c24-18-10-17-13-28(27-21(17)20(11-18)22(25)30)19-6-4-16(5-7-19)12-26-14-23(15-29)8-2-1-3-9-23/h4-7,10-11,13,26,29H,1-3,8-9,12,14-15H2,(H2,25,30)
InChIKeyLBZAKMXSRGSAHE-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.30
Rot. Bonds7

About 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide

5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide (PubChem CID 16750545) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide
PubChem CID16750545
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(-c3ccc(CNCC4(CO)CCCCC4)cc3)nc12
InChIInChI=1S/C23H27FN4O2/c24-18-10-17-13-28(27-21(17)20(11-18)22(25)30)19-6-4-16(5-7-19)12-26-14-23(15-29)8-2-1-3-9-23/h4-7,10-11,13,26,29H,1-3,8-9,12,14-15H2,(H2,25,30)
InChIKeyLBZAKMXSRGSAHE-UHFFFAOYSA-N
XLogP3.30
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide (CID 16750545) is 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide is NC(=O)c1cc(F)cc2cn(-c3ccc(CNCC4(CO)CCCCC4)cc3)nc12.
What is the InChIKey of 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide?
The InChIKey is LBZAKMXSRGSAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c24-18-10-17-13-28(27-21(17)20(11-18)22(25)30)19-6-4-16(5-7-19)12-26-14-23(15-29)8-2-1-3-9-23/h4-7,10-11,13,26,29H,1-3,8-9,12,14-15H2,(H2,25,30).
What are the key properties of 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide?
5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 16750545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).