N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C22H19FN6O2 — CID 89451025

IUPACN-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C22H19FN6O2/c23-16-9-17(12-25-11-16)26-22(30)21-19-8-14(1-2-20(19)27-28-21)15-7-18(13-24-10-15)29-3-5-31-6-4-29/h1-2,7-13H,3-6H2,(H,26,30)(H,27,28)
InChIKeyHMDBPYZQXAPYEC-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.25
Rot. Bonds4

About N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89451025) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89451025
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC NameN-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C22H19FN6O2/c23-16-9-17(12-25-11-16)26-22(30)21-19-8-14(1-2-20(19)27-28-21)15-7-18(13-24-10-15)29-3-5-31-6-4-29/h1-2,7-13H,3-6H2,(H,26,30)(H,27,28)
InChIKeyHMDBPYZQXAPYEC-UHFFFAOYSA-N
XLogP3.25
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89451025) is N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is HMDBPYZQXAPYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c23-16-9-17(12-25-11-16)26-22(30)21-19-8-14(1-2-20(19)27-28-21)15-7-18(13-24-10-15)29-3-5-31-6-4-29/h1-2,7-13H,3-6H2,(H,26,30)(H,27,28).
What are the key properties of N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).