N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C23H21FN6O2 — CID 89451026

IUPACN-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C23H21FN6O2/c24-18-9-19(13-26-12-18)27-23(31)22-20-8-16(1-2-21(20)28-29-22)17-7-15(10-25-11-17)14-30-3-5-32-6-4-30/h1-2,7-13H,3-6,14H2,(H,27,31)(H,28,29)
InChIKeyBIDAZEXCYYJLRA-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.24
Rot. Bonds5

About N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451026) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89451026
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C23H21FN6O2/c24-18-9-19(13-26-12-18)27-23(31)22-20-8-16(1-2-21(20)28-29-22)17-7-15(10-25-11-17)14-30-3-5-32-6-4-30/h1-2,7-13H,3-6,14H2,(H,27,31)(H,28,29)
InChIKeyBIDAZEXCYYJLRA-UHFFFAOYSA-N
XLogP3.24
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.24
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-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451026) is N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is BIDAZEXCYYJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-18-9-19(13-26-12-18)27-23(31)22-20-8-16(1-2-21(20)28-29-22)17-7-15(10-25-11-17)14-30-3-5-32-6-4-30/h1-2,7-13H,3-6,14H2,(H,27,31)(H,28,29).
What are the key properties of N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.24, 5 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-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).