N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C24H23FN6O2 — CID 89451246

IUPACN-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C24H23FN6O2/c25-20-3-6-26-13-22(20)28-24(33)23-19-10-16(1-2-21(19)29-30-23)17-9-15(11-27-12-17)14-31-7-4-18(32)5-8-31/h1-3,6,9-13,18,32H,4-5,7-8,14H2,(H,28,33)(H,29,30)
InChIKeyKKEHVSYDYQMZRU-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.37
Rot. Bonds5

About N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451246) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89451246
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC NameN-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C24H23FN6O2/c25-20-3-6-26-13-22(20)28-24(33)23-19-10-16(1-2-21(19)29-30-23)17-9-15(11-27-12-17)14-31-7-4-18(32)5-8-31/h1-3,6,9-13,18,32H,4-5,7-8,14H2,(H,28,33)(H,29,30)
InChIKeyKKEHVSYDYQMZRU-UHFFFAOYSA-N
XLogP3.37
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451246) is N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cnccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.
What is the InChIKey of N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is KKEHVSYDYQMZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c25-20-3-6-26-13-22(20)28-24(33)23-19-10-16(1-2-21(19)29-30-23)17-9-15(11-27-12-17)14-31-7-4-18(32)5-8-31/h1-3,6,9-13,18,32H,4-5,7-8,14H2,(H,28,33)(H,29,30).
What are the key properties of N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).