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

C27H22FN7O2 — CID 122630518

IUPACN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C27H22FN7O2/c28-20-9-19(13-29-14-20)24-4-2-21(15-31-24)32-27(36)26-23-11-17(1-3-25(23)33-34-26)18-10-22(16-30-12-18)35-5-7-37-8-6-35/h1-4,9-16H,5-8H2,(H,32,36)(H,33,34)
InChIKeyPUPYHIZYSHKCQN-UHFFFAOYSA-N
MW495.52 g/mol
LogP4.31
Rot. Bonds5

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

N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 122630518) has the molecular formula C27H22FN7O2 and a molecular weight of 495.52 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID122630518
Molecular FormulaC27H22FN7O2
Molecular Weight495.52 g/mol
Exact Mass495.18
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C27H22FN7O2/c28-20-9-19(13-29-14-20)24-4-2-21(15-31-24)32-27(36)26-23-11-17(1-3-25(23)33-34-26)18-10-22(16-30-12-18)35-5-7-37-8-6-35/h1-4,9-16H,5-8H2,(H,32,36)(H,33,34)
InChIKeyPUPYHIZYSHKCQN-UHFFFAOYSA-N
XLogP4.31
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
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-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 122630518) is N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2cncc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is PUPYHIZYSHKCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7O2/c28-20-9-19(13-29-14-20)24-4-2-21(15-31-24)32-27(36)26-23-11-17(1-3-25(23)33-34-26)18-10-22(16-30-12-18)35-5-7-37-8-6-35/h1-4,9-16H,5-8H2,(H,32,36)(H,33,34).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 4.31, 5 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-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 122630518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).