carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium

C24H31F2N5O2Y-2 — CID 155751858

IUPACcarbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium
SMILESCC(C)(O)c1cc2[nH]ncc2cc1NC(=O)c1cnc(C(C)(F)F)nc1.[CH-]1CCCCC1.[CH3-].[Y]
InChIInChI=1S/C17H17F2N5O2.C6H11.CH3.Y/c1-16(2,26)11-5-12-9(8-22-24-12)4-13(11)23-14(25)10-6-20-15(21-7-10)17(3,18)19;1-2-4-6-5-3-1;;/h4-8,26H,1-3H3,(H,22,24)(H,23,25);1H,2-6H2;1H3;/q;2*-1;
InChIKeyLJXDAZTWCLWFKV-UHFFFAOYSA-N
MW548.45 g/mol
LogP5.55
Rot. Bonds4

About carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium

carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium (PubChem CID 155751858) has the molecular formula C24H31F2N5O2Y-2 and a molecular weight of 548.45 g/mol. Its IUPAC name is carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium.

Molecular Properties

Compound Namecarbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium
PubChem CID155751858
Molecular FormulaC24H31F2N5O2Y-2
Molecular Weight548.45 g/mol
Exact Mass548.15
IUPAC Namecarbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium
SMILESCC(C)(O)c1cc2[nH]ncc2cc1NC(=O)c1cnc(C(C)(F)F)nc1.[CH-]1CCCCC1.[CH3-].[Y]
InChIInChI=1S/C17H17F2N5O2.C6H11.CH3.Y/c1-16(2,26)11-5-12-9(8-22-24-12)4-13(11)23-14(25)10-6-20-15(21-7-10)17(3,18)19;1-2-4-6-5-3-1;;/h4-8,26H,1-3H3,(H,22,24)(H,23,25);1H,2-6H2;1H3;/q;2*-1;
InChIKeyLJXDAZTWCLWFKV-UHFFFAOYSA-N
XLogP5.55
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.45
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 164801989
2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
CID 169214978
N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide
CID 146589495
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 155448913
N-(6-methoxy-1H-indazol-5-yl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167375608
N-[6-(difluoromethyl)-1H-indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
CID 155448654
2-cyclobutyloxy-N-(5-methyl-1H-indazol-6-yl)pyridine-4-carboxamide
CID 99635967
1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid
CID 150730994
7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
CID 177134879
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-(2-acetylphenyl)-1H-indazole-6-carboxamide
CID 110485418
1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate
CID 150730993

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium?
The IUPAC name of carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium (CID 155751858) is carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium.
What is the SMILES notation for carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium?
The canonical SMILES for carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium is CC(C)(O)c1cc2[nH]ncc2cc1NC(=O)c1cnc(C(C)(F)F)nc1.[CH-]1CCCCC1.[CH3-].[Y].
What is the InChIKey of carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium?
The InChIKey is LJXDAZTWCLWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2.C6H11.CH3.Y/c1-16(2,26)11-5-12-9(8-22-24-12)4-13(11)23-14(25)10-6-20-15(21-7-10)17(3,18)19;1-2-4-6-5-3-1;;/h4-8,26H,1-3H3,(H,22,24)(H,23,25);1H,2-6H2;1H3;/q;2*-1;.
What are the key properties of carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium?
carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium has a molecular weight of 548.45 g/mol, XLogP of 5.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium is sourced from PubChem (CID 155751858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).