5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate

C58H77N19O10 — CID 159769526

IUPAC5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
SMILESCC(C)(O)c1ccc(C(=O)O)cn1.COC(=O)c1ccc(C(C)(C)O)nc1.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)O)nc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C24H31N9O3.C15H22N8O.C10H13NO3.C9H11NO3/c1-14-17(30-23(35)15-7-8-18(26-10-15)24(2,3)36)6-5-9-33(14)19-12-27-20(21(25)34)22(31-19)29-16-11-28-32(4)13-16;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;1-10(2,13)8-5-4-7(6-11-8)9(12)14-3;1-9(2,13)7-4-3-6(5-10-7)8(11)12/h7-8,10-14,17,36H,5-6,9H2,1-4H3,(H2,25,34)(H,29,31)(H,30,35);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);4-6,13H,1-3H3;3-5,13H,1-2H3,(H,11,12)/t14-,17-;9-,11-;;/m11../s1
InChIKeyNFYAAHJDSVBPGF-LOWXXOOISA-N
MW1200.38 g/mol
LogP3.93
Rot. Bonds15

About 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate (PubChem CID 159769526) has the molecular formula C58H77N19O10 and a molecular weight of 1200.38 g/mol. Its IUPAC name is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Name5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
PubChem CID159769526
Molecular FormulaC58H77N19O10
Molecular Weight1200.38 g/mol
Exact Mass1199.61
IUPAC Name5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
SMILESCC(C)(O)c1ccc(C(=O)O)cn1.COC(=O)c1ccc(C(C)(C)O)nc1.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)O)nc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C24H31N9O3.C15H22N8O.C10H13NO3.C9H11NO3/c1-14-17(30-23(35)15-7-8-18(26-10-15)24(2,3)36)6-5-9-33(14)19-12-27-20(21(25)34)22(31-19)29-16-11-28-32(4)13-16;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;1-10(2,13)8-5-4-7(6-11-8)9(12)14-3;1-9(2,13)7-4-3-6(5-10-7)8(11)12/h7-8,10-14,17,36H,5-6,9H2,1-4H3,(H2,25,34)(H,29,31)(H,30,35);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);4-6,13H,1-3H3;3-5,13H,1-2H3,(H,11,12)/t14-,17-;9-,11-;;/m11../s1
InChIKeyNFYAAHJDSVBPGF-LOWXXOOISA-N
XLogP3.93
TPSA422.00 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.38
LogP ≤ 53.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate with MolForge

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Related Compounds

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5-[3-[2-Chloro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methoxycarbonyl-3-pyridinyl]propyl]-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 167013242
1-N-methyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoic acid
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tert-butyl N-[5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]-2-pyridinyl]carbamate;5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]pyridine-2-carboxylic acid
CID 159315411
4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
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CID 118110204

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate?
The IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate (CID 159769526) is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate?
The canonical SMILES for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate is CC(C)(O)c1ccc(C(=O)O)cn1.COC(=O)c1ccc(C(C)(C)O)nc1.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)O)nc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.
What is the InChIKey of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate?
The InChIKey is NFYAAHJDSVBPGF-LOWXXOOISA-N. The full InChI is InChI=1S/C24H31N9O3.C15H22N8O.C10H13NO3.C9H11NO3/c1-14-17(30-23(35)15-7-8-18(26-10-15)24(2,3)36)6-5-9-33(14)19-12-27-20(21(25)34)22(31-19)29-16-11-28-32(4)13-16;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;1-10(2,13)8-5-4-7(6-11-8)9(12)14-3;1-9(2,13)7-4-3-6(5-10-7)8(11)12/h7-8,10-14,17,36H,5-6,9H2,1-4H3,(H2,25,34)(H,29,31)(H,30,35);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);4-6,13H,1-3H3;3-5,13H,1-2H3,(H,11,12)/t14-,17-;9-,11-;;/m11../s1.
What are the key properties of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate?
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate has a molecular weight of 1200.38 g/mol, XLogP of 3.93, 15 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[[6-(2-hydroxypropan-2-yl)pyridine-3-carbonyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;6-(2-hydroxypropan-2-yl)pyridine-3-carboxylic acid;methyl 6-(2-hydroxypropan-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 159769526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).