N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C28H24FN7O2 — CID 122630519

IUPACN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C28H24FN7O2/c29-22-10-21(14-31-15-22)25-4-2-23(16-32-25)33-28(37)27-24-11-19(1-3-26(24)34-35-27)20-9-18(12-30-13-20)17-36-5-7-38-8-6-36/h1-4,9-16H,5-8,17H2,(H,33,37)(H,34,35)
InChIKeyBRDJOMSYLSTUQR-UHFFFAOYSA-N
MW509.55 g/mol
LogP4.31
Rot. Bonds6

About N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 122630519) has the molecular formula C28H24FN7O2 and a molecular weight of 509.55 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID122630519
Molecular FormulaC28H24FN7O2
Molecular Weight509.55 g/mol
Exact Mass509.20
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C28H24FN7O2/c29-22-10-21(14-31-15-22)25-4-2-23(16-32-25)33-28(37)27-24-11-19(1-3-26(24)34-35-27)20-9-18(12-30-13-20)17-36-5-7-38-8-6-36/h1-4,9-16H,5-8,17H2,(H,33,37)(H,34,35)
InChIKeyBRDJOMSYLSTUQR-UHFFFAOYSA-N
XLogP4.31
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.55
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 122630519) is N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is BRDJOMSYLSTUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O2/c29-22-10-21(14-31-15-22)25-4-2-23(16-32-25)33-28(37)27-24-11-19(1-3-26(24)34-35-27)20-9-18(12-30-13-20)17-36-5-7-38-8-6-36/h1-4,9-16H,5-8,17H2,(H,33,37)(H,34,35).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 509.55 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 122630519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).