N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H27F3N4O3 — CID 155438042

IUPACN-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H27F3N4O3/c1-14(2)34-21-11-19-16(12-31(30-19)17-8-6-15(13-32)7-9-17)10-20(21)29-23(33)18-4-3-5-22(28-18)24(25,26)27/h3-5,10-12,14-15,17,32H,6-9,13H2,1-2H3,(H,29,33)
InChIKeyHUNZCIJJPPXLTA-UHFFFAOYSA-N
MW476.50 g/mol
LogP5.21
Rot. Bonds6

About N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155438042) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155438042
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H27F3N4O3/c1-14(2)34-21-11-19-16(12-31(30-19)17-8-6-15(13-32)7-9-17)10-20(21)29-23(33)18-4-3-5-22(28-18)24(25,26)27/h3-5,10-12,14-15,17,32H,6-9,13H2,1-2H3,(H,29,33)
InChIKeyHUNZCIJJPPXLTA-UHFFFAOYSA-N
XLogP5.21
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

US9951086, Example 68
CID 118173098
US9951086, Example 220
CID 118172527
US9951086, Example 46
CID 118172648
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
US9951086, Example 12
CID 118172938
US9951086, Example 248
CID 118172992
US9951086, Example 65
CID 118173075
US9951086, Example 64
CID 118173110
US9951086, Example 274
CID 118173136
US9951086, Example 255
CID 118173137
US9951086, Example 271
CID 118182674

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155438042) is N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)Oc1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HUNZCIJJPPXLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-14(2)34-21-11-19-16(12-31(30-19)17-8-6-15(13-32)7-9-17)10-20(21)29-23(33)18-4-3-5-22(28-18)24(25,26)27/h3-5,10-12,14-15,17,32H,6-9,13H2,1-2H3,(H,29,33).
What are the key properties of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155438042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).