hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid

C42H50F6N10O5 — CID 158152900

IUPAChexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCCCCCCN.CCCCCCNC(=O)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1.O=C(O)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1
InChIInChI=1S/C21H24F3N5O2.C15H11F3N4O3.C6H15N/c1-2-3-4-5-11-26-19(30)16-8-9-18(27-14-16)29-20(31,21(22,23)24)12-17(28-29)15-7-6-10-25-13-15;16-15(17,18)14(25)6-11(9-2-1-5-19-7-9)21-22(14)12-4-3-10(8-20-12)13(23)24;1-2-3-4-5-6-7/h6-10,13-14,31H,2-5,11-12H2,1H3,(H,26,30);1-5,7-8,25H,6H2,(H,23,24);2-7H2,1H3
InChIKeyFVIITDWFOMPFBK-UHFFFAOYSA-N
MW888.91 g/mol
LogP7.22
Rot. Bonds15

About hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid

hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 158152900) has the molecular formula C42H50F6N10O5 and a molecular weight of 888.91 g/mol. Its IUPAC name is hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namehexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID158152900
Molecular FormulaC42H50F6N10O5
Molecular Weight888.91 g/mol
Exact Mass888.39
IUPAC Namehexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCCCCCCN.CCCCCCNC(=O)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1.O=C(O)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1
InChIInChI=1S/C21H24F3N5O2.C15H11F3N4O3.C6H15N/c1-2-3-4-5-11-26-19(30)16-8-9-18(27-14-16)29-20(31,21(22,23)24)12-17(28-29)15-7-6-10-25-13-15;16-15(17,18)14(25)6-11(9-2-1-5-19-7-9)21-22(14)12-4-3-10(8-20-12)13(23)24;1-2-3-4-5-6-7/h6-10,13-14,31H,2-5,11-12H2,1H3,(H,26,30);1-5,7-8,25H,6H2,(H,23,24);2-7H2,1H3
InChIKeyFVIITDWFOMPFBK-UHFFFAOYSA-N
XLogP7.22
TPSA215.64 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500888.91
LogP ≤ 57.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Copper, tetrakis(mu-(2-((3-trifluoromethyl)phenyl)amino)-3-pyridinecarboxylate-O:O')di-, (cu-Cu)-
CID 85470839
4-Pyridin-4-ylpyridine;bis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)
CID 139147798
Copper;bis(pyridine-4-carboxamide);bis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate)
CID 168349844
N-hexyl-6-(5-hydroxy-3-pyridin-3-yl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-nicotinamide
CID 17748321
N-cyclohexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide
CID 17748355
6-(5-Hydroxy-3-pyridin-3-yl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-nicotinic acid
CID 57861421
N-(3,3-diphenyl-propyl)-6-(5-hydroxy-3-pyridin-3-yl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-nicotinamide
CID 57861867
1-Butyl-3-[5-[4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyridin-2-yl]urea;1-butyl-3-[5-(piperazine-1-carbonyl)pyridin-2-yl]urea
CID 87253402
1-Butyl-1-[butyl-[[5-[4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridinyl]carbamoyl]amino]-3-[5-(piperazine-1-carbonyl)-2-pyridinyl]urea
CID 87253403
6-[[3-Methyl-1-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butyl]amino]pyridine-3-carboxylic acid
CID 117737526
3-[[6-[[(1R)-3-methyl-1-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butyl]amino]pyridine-3-carbonyl]amino]propanoic acid;3-[[6-[[(1S)-3-methyl-1-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]butyl]amino]pyridine-3-carbonyl]amino]propanoic acid
CID 157229017
tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 157333021

Frequently Asked Questions

What is the IUPAC name of hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid (CID 158152900) is hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid is CCCCCCN.CCCCCCNC(=O)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1.O=C(O)c1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)nc1.
What is the InChIKey of hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is FVIITDWFOMPFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2.C15H11F3N4O3.C6H15N/c1-2-3-4-5-11-26-19(30)16-8-9-18(27-14-16)29-20(31,21(22,23)24)12-17(28-29)15-7-6-10-25-13-15;16-15(17,18)14(25)6-11(9-2-1-5-19-7-9)21-22(14)12-4-3-10(8-20-12)13(23)24;1-2-3-4-5-6-7/h6-10,13-14,31H,2-5,11-12H2,1H3,(H,26,30);1-5,7-8,25H,6H2,(H,23,24);2-7H2,1H3.
What are the key properties of hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid?
hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 888.91 g/mol, XLogP of 7.22, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 158152900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).