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

C22H27FN6O — CID 118381438

IUPACN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCN(CC(C)(C)F)CC4)c3c2)cn1
InChIInChI=1S/C22H27FN6O/c1-14-24-11-16(12-25-14)15-4-5-19-18(10-15)20(28-27-19)21(30)26-17-6-8-29(9-7-17)13-22(2,3)23/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyLDRJSTXQBPDNDP-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.27
Rot. Bonds5

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

N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide (PubChem CID 118381438) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
PubChem CID118381438
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC NameN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCN(CC(C)(C)F)CC4)c3c2)cn1
InChIInChI=1S/C22H27FN6O/c1-14-24-11-16(12-25-14)15-4-5-19-18(10-15)20(28-27-19)21(30)26-17-6-8-29(9-7-17)13-22(2,3)23/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyLDRJSTXQBPDNDP-UHFFFAOYSA-N
XLogP3.27
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.27
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-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide (CID 118381438) is N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide is Cc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCN(CC(C)(C)F)CC4)c3c2)cn1.
What is the InChIKey of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is LDRJSTXQBPDNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-14-24-11-16(12-25-14)15-4-5-19-18(10-15)20(28-27-19)21(30)26-17-6-8-29(9-7-17)13-22(2,3)23/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.27, 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-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).