N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide

C22H24F2N4O2 — CID 155438138

IUPACN-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc3cn(C4CCC(CO)CC4)nc3cc2C(F)F)n1
InChIInChI=1S/C22H24F2N4O2/c1-13-3-2-4-18(25-13)22(30)26-20-9-15-11-28(16-7-5-14(12-29)6-8-16)27-19(15)10-17(20)21(23)24/h2-4,9-11,14,16,21,29H,5-8,12H2,1H3,(H,26,30)
InChIKeyDKRGNPPQAXELBE-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.65
Rot. Bonds5

About N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide

N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 155438138) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID155438138
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc3cn(C4CCC(CO)CC4)nc3cc2C(F)F)n1
InChIInChI=1S/C22H24F2N4O2/c1-13-3-2-4-18(25-13)22(30)26-20-9-15-11-28(16-7-5-14(12-29)6-8-16)27-19(15)10-17(20)21(23)24/h2-4,9-11,14,16,21,29H,5-8,12H2,1H3,(H,26,30)
InChIKeyDKRGNPPQAXELBE-UHFFFAOYSA-N
XLogP4.65
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide (CID 155438138) is N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc3cn(C4CCC(CO)CC4)nc3cc2C(F)F)n1.
What is the InChIKey of N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is DKRGNPPQAXELBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-13-3-2-4-18(25-13)22(30)26-20-9-15-11-28(16-7-5-14(12-29)6-8-16)27-19(15)10-17(20)21(23)24/h2-4,9-11,14,16,21,29H,5-8,12H2,1H3,(H,26,30).
What are the key properties of N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 155438138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).