N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide

C23H26F3N5O3 — CID 155437655

IUPACN-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCC(C)(O)c1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C23H26F3N5O3/c1-22(2,34)17-8-18-14(11-31(30-18)16-5-3-13(12-32)4-6-16)7-19(17)29-20(33)15-9-27-21(28-10-15)23(24,25)26/h7-11,13,16,32,34H,3-6,12H2,1-2H3,(H,29,33)
InChIKeySJCLMSSVMACEPL-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.05
Rot. Bonds5

About N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 155437655) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID155437655
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC NameN-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCC(C)(O)c1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C23H26F3N5O3/c1-22(2,34)17-8-18-14(11-31(30-18)16-5-3-13(12-32)4-6-16)7-19(17)29-20(33)15-9-27-21(28-10-15)23(24,25)26/h7-11,13,16,32,34H,3-6,12H2,1-2H3,(H,29,33)
InChIKeySJCLMSSVMACEPL-UHFFFAOYSA-N
XLogP4.05
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 155448913
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 155437486
N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 155449451
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 167375591
N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
CID 155448898
N-[2-[4-(2-hydroxyethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238796
3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide
CID 155751992
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 170240309
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 168854236
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[6-(2-hydroxypropan-2-yl)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137377537
3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde
CID 155751991

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 155437655) is N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide is CC(C)(O)c1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is SJCLMSSVMACEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c1-22(2,34)17-8-18-14(11-31(30-18)16-5-3-13(12-32)4-6-16)7-19(17)29-20(33)15-9-27-21(28-10-15)23(24,25)26/h7-11,13,16,32,34H,3-6,12H2,1-2H3,(H,29,33).
What are the key properties of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 155437655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).