tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide

C78H94Cl2N22O6 — CID 159901108

IUPACtert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)C1.CN(C(=O)C[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)C1)c1ccccc1.CN(C(=O)C[C@@H]1CCCN(c2cnc(C#N)c(NC3CC3)n2)C1)c1ccccc1.CN(C(=O)C[C@@H]1CCCN(c2cnc(C(N)=O)c(NC3CC3)n2)C1)c1ccccc1
InChIInChI=1S/C22H28N6O2.C22H26N6O.C19H20ClN5O.C15H20ClN5O2/c1-27(17-7-3-2-4-8-17)19(29)12-15-6-5-11-28(14-15)18-13-24-20(21(23)30)22(26-18)25-16-9-10-16;1-27(18-7-3-2-4-8-18)21(29)12-16-6-5-11-28(15-16)20-14-24-19(13-23)22(26-20)25-17-9-10-17;1-24(15-7-3-2-4-8-15)18(26)10-14-6-5-9-25(13-14)17-12-22-16(11-21)19(20)23-17;1-15(2,3)23-14(22)19-10-5-4-6-21(9-10)12-8-18-11(7-17)13(16)20-12/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3,(H2,23,30)(H,25,26);2-4,7-8,14,16-17H,5-6,9-12,15H2,1H3,(H,25,26);2-4,7-8,12,14H,5-6,9-10,13H2,1H3;8,10H,4-6,9H2,1-3H3,(H,19,22)/t15-;16-;14-;10-/m0001/s1
InChIKeyNVYWDSYFHIYKFO-FWEWOCNBSA-N
MW1506.66 g/mol
LogP11.38
Rot. Bonds19

About tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide

tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 159901108) has the molecular formula C78H94Cl2N22O6 and a molecular weight of 1506.66 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID159901108
Molecular FormulaC78H94Cl2N22O6
Molecular Weight1506.66 g/mol
Exact Mass1504.71
IUPAC Nametert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)C1.CN(C(=O)C[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)C1)c1ccccc1.CN(C(=O)C[C@@H]1CCCN(c2cnc(C#N)c(NC3CC3)n2)C1)c1ccccc1.CN(C(=O)C[C@@H]1CCCN(c2cnc(C(N)=O)c(NC3CC3)n2)C1)c1ccccc1
InChIInChI=1S/C22H28N6O2.C22H26N6O.C19H20ClN5O.C15H20ClN5O2/c1-27(17-7-3-2-4-8-17)19(29)12-15-6-5-11-28(14-15)18-13-24-20(21(23)30)22(26-18)25-16-9-10-16;1-27(18-7-3-2-4-8-18)21(29)12-16-6-5-11-28(15-16)20-14-24-19(13-23)22(26-20)25-17-9-10-17;1-24(15-7-3-2-4-8-15)18(26)10-14-6-5-9-25(13-14)17-12-22-16(11-21)19(20)23-17;1-15(2,3)23-14(22)19-10-5-4-6-21(9-10)12-8-18-11(7-17)13(16)20-12/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3,(H2,23,30)(H,25,26);2-4,7-8,14,16-17H,5-6,9-12,15H2,1H3,(H,25,26);2-4,7-8,12,14H,5-6,9-10,13H2,1H3;8,10H,4-6,9H2,1-3H3,(H,19,22)/t15-;16-;14-;10-/m0001/s1
InChIKeyNVYWDSYFHIYKFO-FWEWOCNBSA-N
XLogP11.38
TPSA353.86 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.66
LogP ≤ 511.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,1-dimethylurea
CID 118115329
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
CID 144857934
N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
CID 118146345
tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate
CID 156749944
N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 123632688
tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
CID 144858007
3-[4-(2-cyanopropan-2-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114665
3-[4-(1-carbamoylcyclopropyl)anilino]-5-[(3S)-3-[2-(3-chloro-N,5-dimethylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 152784455
tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
CID 144858058
5-[(3R)-3-[[[3-chloro-5-(trifluoromethyl)phenyl]-methylcarbamoyl]amino]piperidin-1-yl]-3-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 118115758
tert-butyl 4-[4-[[3-cyano-6-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]-4-methylpiperidine-1-carboxylate
CID 118115061
tert-butyl 4-[4-[[3-carbamoyl-6-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 118115760

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide (CID 159901108) is tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide is CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)C1.CN(C(=O)C[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)C1)c1ccccc1.CN(C(=O)C[C@@H]1CCCN(c2cnc(C#N)c(NC3CC3)n2)C1)c1ccccc1.CN(C(=O)C[C@@H]1CCCN(c2cnc(C(N)=O)c(NC3CC3)n2)C1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is NVYWDSYFHIYKFO-FWEWOCNBSA-N. The full InChI is InChI=1S/C22H28N6O2.C22H26N6O.C19H20ClN5O.C15H20ClN5O2/c1-27(17-7-3-2-4-8-17)19(29)12-15-6-5-11-28(14-15)18-13-24-20(21(23)30)22(26-18)25-16-9-10-16;1-27(18-7-3-2-4-8-18)21(29)12-16-6-5-11-28(15-16)20-14-24-19(13-23)22(26-20)25-17-9-10-17;1-24(15-7-3-2-4-8-15)18(26)10-14-6-5-9-25(13-14)17-12-22-16(11-21)19(20)23-17;1-15(2,3)23-14(22)19-10-5-4-6-21(9-10)12-8-18-11(7-17)13(16)20-12/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3,(H2,23,30)(H,25,26);2-4,7-8,14,16-17H,5-6,9-12,15H2,1H3,(H,25,26);2-4,7-8,12,14H,5-6,9-10,13H2,1H3;8,10H,4-6,9H2,1-3H3,(H,19,22)/t15-;16-;14-;10-/m0001/s1.
What are the key properties of tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide?
tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 1506.66 g/mol, XLogP of 11.38, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 159901108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).