N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide

C21H25FN6O — CID 118381080

IUPACN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide
SMILESCC(C)(F)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cnccn4)cc23)CC1
InChIInChI=1S/C21H25FN6O/c1-21(2,22)13-28-9-5-15(6-10-28)25-20(29)19-16-11-14(3-4-17(16)26-27-19)18-12-23-7-8-24-18/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyMZWWOHMFFLRKNX-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.96
Rot. Bonds5

About N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide

N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide (PubChem CID 118381080) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide
PubChem CID118381080
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC NameN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide
SMILESCC(C)(F)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cnccn4)cc23)CC1
InChIInChI=1S/C21H25FN6O/c1-21(2,22)13-28-9-5-15(6-10-28)25-20(29)19-16-11-14(3-4-17(16)26-27-19)18-12-23-7-8-24-18/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyMZWWOHMFFLRKNX-UHFFFAOYSA-N
XLogP2.96
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide (CID 118381080) is N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide is CC(C)(F)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cnccn4)cc23)CC1.
What is the InChIKey of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide?
The InChIKey is MZWWOHMFFLRKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-21(2,22)13-28-9-5-15(6-10-28)25-20(29)19-16-11-14(3-4-17(16)26-27-19)18-12-23-7-8-24-18/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide?
N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-pyrazin-2-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).