N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid

C62H62N16O7 — CID 159452733

IUPACN-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
SMILESCN(C)CCN.CN(C)CCNC(=O)c1cccc(-c2cnc3c(-c4ccccc4)cnn3c2)n1.Nc1[nH]ncc1-c1ccccc1.O=C(O)c1cccc(-c2cnc3c(-c4ccccc4)cnn3c2)n1.O=CC(C=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C22H22N6O.C18H12N4O2.C9H9N3.C9H7NO4.C4H12N2/c1-27(2)12-11-23-22(29)20-10-6-9-19(26-20)17-13-24-21-18(14-25-28(21)15-17)16-7-4-3-5-8-16;23-18(24)16-8-4-7-15(21-16)13-9-19-17-14(10-20-22(17)11-13)12-5-2-1-3-6-12;10-9-8(6-11-12-9)7-4-2-1-3-5-7;11-4-6(5-12)7-2-1-3-8(10-7)9(13)14;1-6(2)4-3-5/h3-10,13-15H,11-12H2,1-2H3,(H,23,29);1-11H,(H,23,24);1-6H,(H3,10,11,12);1-6H,(H,13,14);3-5H2,1-2H3
InChIKeyLTOUUCQBSWECSN-UHFFFAOYSA-N
MW1143.28 g/mol
LogP7.33
Rot. Bonds16

About N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid

N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid (PubChem CID 159452733) has the molecular formula C62H62N16O7 and a molecular weight of 1143.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
PubChem CID159452733
Molecular FormulaC62H62N16O7
Molecular Weight1143.28 g/mol
Exact Mass1142.50
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
SMILESCN(C)CCN.CN(C)CCNC(=O)c1cccc(-c2cnc3c(-c4ccccc4)cnn3c2)n1.Nc1[nH]ncc1-c1ccccc1.O=C(O)c1cccc(-c2cnc3c(-c4ccccc4)cnn3c2)n1.O=CC(C=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C22H22N6O.C18H12N4O2.C9H9N3.C9H7NO4.C4H12N2/c1-27(2)12-11-23-22(29)20-10-6-9-19(26-20)17-13-24-21-18(14-25-28(21)15-17)16-7-4-3-5-8-16;23-18(24)16-8-4-7-15(21-16)13-9-19-17-14(10-20-22(17)11-13)12-5-2-1-3-6-12;10-9-8(6-11-12-9)7-4-2-1-3-5-7;11-4-6(5-12)7-2-1-3-8(10-7)9(13)14;1-6(2)4-3-5/h3-10,13-15H,11-12H2,1-2H3,(H,23,29);1-11H,(H,23,24);1-6H,(H3,10,11,12);1-6H,(H,13,14);3-5H2,1-2H3
InChIKeyLTOUUCQBSWECSN-UHFFFAOYSA-N
XLogP7.33
TPSA324.09 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001143.28
LogP ≤ 57.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid with MolForge

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Related Compounds

2-(3-(Hydroxymethyl)-4-(8-((5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino)imidazo[1,2-b]pyridazin-6-yl)pyridin-2-yl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one
CID 71557629
1-[7-amino-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294791
1-[7-amino-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67297246
1-[7-amino-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71115591
1-[7-amino-5-[(1R,5S)-8-(1H-pyrazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71115646
1-[7-amino-5-[(5S)-8-(1H-pyrazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71128477
1-[7-amino-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71136444
1-[7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 76016062
1-[7-amino-3-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridin-3-yl]-5-[(1R,5S)-8-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 87343670
1-[7-amino-5-[(1R,5S)-8-(3-amino-1H-pyrazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 89287305
2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid
CID 158877196
pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 159079913

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid (CID 159452733) is N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid is CN(C)CCN.CN(C)CCNC(=O)c1cccc(-c2cnc3c(-c4ccccc4)cnn3c2)n1.Nc1[nH]ncc1-c1ccccc1.O=C(O)c1cccc(-c2cnc3c(-c4ccccc4)cnn3c2)n1.O=CC(C=O)c1cccc(C(=O)O)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid?
The InChIKey is LTOUUCQBSWECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O.C18H12N4O2.C9H9N3.C9H7NO4.C4H12N2/c1-27(2)12-11-23-22(29)20-10-6-9-19(26-20)17-13-24-21-18(14-25-28(21)15-17)16-7-4-3-5-8-16;23-18(24)16-8-4-7-15(21-16)13-9-19-17-14(10-20-22(17)11-13)12-5-2-1-3-6-12;10-9-8(6-11-12-9)7-4-2-1-3-5-7;11-4-6(5-12)7-2-1-3-8(10-7)9(13)14;1-6(2)4-3-5/h3-10,13-15H,11-12H2,1-2H3,(H,23,29);1-11H,(H,23,24);1-6H,(H3,10,11,12);1-6H,(H,13,14);3-5H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid?
N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid has a molecular weight of 1143.28 g/mol, XLogP of 7.33, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 159452733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).