1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide

C22H25F3N4O2 — CID 169096648

IUPAC1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
SMILESCc1cc2nn(C3CCC(CO)CC3)cc2cc1N1C(C(F)(F)F)=CC=CC1C(N)=O
InChIInChI=1S/C22H25F3N4O2/c1-13-9-17-15(11-28(27-17)16-7-5-14(12-30)6-8-16)10-19(13)29-18(21(26)31)3-2-4-20(29)22(23,24)25/h2-4,9-11,14,16,18,30H,5-8,12H2,1H3,(H2,26,31)
InChIKeyKIGQBWHAJJVFPX-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.74
Rot. Bonds4

About 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide

1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide (PubChem CID 169096648) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
PubChem CID169096648
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
SMILESCc1cc2nn(C3CCC(CO)CC3)cc2cc1N1C(C(F)(F)F)=CC=CC1C(N)=O
InChIInChI=1S/C22H25F3N4O2/c1-13-9-17-15(11-28(27-17)16-7-5-14(12-30)6-8-16)10-19(13)29-18(21(26)31)3-2-4-20(29)22(23,24)25/h2-4,9-11,14,16,18,30H,5-8,12H2,1H3,(H2,26,31)
InChIKeyKIGQBWHAJJVFPX-UHFFFAOYSA-N
XLogP3.74
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide with MolForge

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Related Compounds

1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide
CID 170693360
[4-(5-amino-6-methylindazol-2-yl)cyclohexyl]methanol
CID 170379953
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxy-3-methylbenzimidazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
CID 170693388
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide
CID 155438131
[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol
CID 155437708
[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 164567417
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide
CID 170693376
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469
[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 155438039
[1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid
CID 175472218
[4-[6-methoxy-5-(2H-pyrazolo[1,5-a]pyrimidin-1-yl)indazol-2-yl]cyclohexyl]methanol
CID 163362486
2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxypropanoic acid
CID 155437454

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide?
The IUPAC name of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide (CID 169096648) is 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide is Cc1cc2nn(C3CCC(CO)CC3)cc2cc1N1C(C(F)(F)F)=CC=CC1C(N)=O.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide?
The InChIKey is KIGQBWHAJJVFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c1-13-9-17-15(11-28(27-17)16-7-5-14(12-30)6-8-16)10-19(13)29-18(21(26)31)3-2-4-20(29)22(23,24)25/h2-4,9-11,14,16,18,30H,5-8,12H2,1H3,(H2,26,31).
What are the key properties of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide?
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide is sourced from PubChem (CID 169096648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).