(3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate

C78H92Br3Cl4N25O12 — CID 159763142

IUPAC(3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)NCc2nccnc2Cl)C1.COC(=O)C1CCCN(c2nc(Br)c3c(Cl)nccn23)C1.COC(=O)C1CCCN(c2nc(Br)c3c(N)nccn23)C1.COC(=O)C1CCCN(c2nc(Br)c3c(NCc4ccc(OC)cc4)nccn23)C1.COC(=O)C1CCCN(c2ncc3c(Cl)nccn23)C1.NCc1nccnc1Cl
InChIInChI=1S/C21H24BrN5O3.C13H14BrClN4O2.C13H16BrN5O2.C13H17ClN4O3.C13H15ClN4O2.C5H6ClN3/c1-29-16-7-5-14(6-8-16)12-24-19-17-18(22)25-21(27(17)11-9-23-19)26-10-3-4-15(13-26)20(28)30-2;2*1-21-12(20)8-3-2-5-18(7-8)13-17-10(14)9-11(15)16-4-6-19(9)13;1-21-12(19)9-3-2-6-18(8-9)13(20)17-7-10-11(14)16-5-4-15-10;1-20-12(19)9-3-2-5-17(8-9)13-16-7-10-11(14)15-4-6-18(10)13;6-5-4(3-7)8-1-2-9-5/h5-9,11,15H,3-4,10,12-13H2,1-2H3,(H,23,24);4,6,8H,2-3,5,7H2,1H3;4,6,8H,2-3,5,7H2,1H3,(H2,15,16);4-5,9H,2-3,6-8H2,1H3,(H,17,20);4,6-7,9H,2-3,5,8H2,1H3;1-2H,3,7H2
InChIKeyNFDQSZHMAFKHBP-UHFFFAOYSA-N
MW1953.28 g/mol
LogP11.09
Rot. Bonds16

About (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate

(3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate (PubChem CID 159763142) has the molecular formula C78H92Br3Cl4N25O12 and a molecular weight of 1953.28 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate
PubChem CID159763142
Molecular FormulaC78H92Br3Cl4N25O12
Molecular Weight1953.28 g/mol
Exact Mass1947.37
IUPAC Name(3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)NCc2nccnc2Cl)C1.COC(=O)C1CCCN(c2nc(Br)c3c(Cl)nccn23)C1.COC(=O)C1CCCN(c2nc(Br)c3c(N)nccn23)C1.COC(=O)C1CCCN(c2nc(Br)c3c(NCc4ccc(OC)cc4)nccn23)C1.COC(=O)C1CCCN(c2ncc3c(Cl)nccn23)C1.NCc1nccnc1Cl
InChIInChI=1S/C21H24BrN5O3.C13H14BrClN4O2.C13H16BrN5O2.C13H17ClN4O3.C13H15ClN4O2.C5H6ClN3/c1-29-16-7-5-14(6-8-16)12-24-19-17-18(22)25-21(27(17)11-9-23-19)26-10-3-4-15(13-26)20(28)30-2;2*1-21-12(20)8-3-2-5-18(7-8)13-17-10(14)9-11(15)16-4-6-19(9)13;1-21-12(19)9-3-2-6-18(8-9)13(20)17-7-10-11(14)16-5-4-15-10;1-20-12(19)9-3-2-5-17(8-9)13-16-7-10-11(14)15-4-6-18(10)13;6-5-4(3-7)8-1-2-9-5/h5-9,11,15H,3-4,10,12-13H2,1-2H3,(H,23,24);4,6,8H,2-3,5,7H2,1H3;4,6,8H,2-3,5,7H2,1H3,(H2,15,16);4-5,9H,2-3,6-8H2,1H3,(H,17,20);4,6-7,9H,2-3,5,8H2,1H3;1-2H,3,7H2
InChIKeyNFDQSZHMAFKHBP-UHFFFAOYSA-N
XLogP11.09
TPSA422.42 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.28
LogP ≤ 511.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157635381
CID 157635381
2-amino-9-[(4-methoxyphenyl)methyl]-7-prop-2-ynylpurin-8-one;2-amino-7-[(4-methoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-7-prop-2-ynyl-9H-purin-8-one;3-bromoprop-1-yne;6-chloro-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4,5-triamine;4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4,5-triamine;N-(8-oxo-7-prop-2-ynyl-9H-purin-2-yl)acetamide
CID 158495696
benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine
CID 158592549
4-[[3-[4-[[3-[[2-Amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-2-methyl-4-oxobutanoic acid;4-[[3-[4-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;1-[3-[4-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 159255866
azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine
CID 161129588
2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[(2-pyridin-2-yl-7H-purin-6-yl)amino]-2-pyridinyl]acetamide
CID 161786062
CID 163585961
CID 163585961
CID 167565406
CID 167565406

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate?
The IUPAC name of (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate (CID 159763142) is (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate?
The canonical SMILES for (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)NCc2nccnc2Cl)C1.COC(=O)C1CCCN(c2nc(Br)c3c(Cl)nccn23)C1.COC(=O)C1CCCN(c2nc(Br)c3c(N)nccn23)C1.COC(=O)C1CCCN(c2nc(Br)c3c(NCc4ccc(OC)cc4)nccn23)C1.COC(=O)C1CCCN(c2ncc3c(Cl)nccn23)C1.NCc1nccnc1Cl.
What is the InChIKey of (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate?
The InChIKey is NFDQSZHMAFKHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O3.C13H14BrClN4O2.C13H16BrN5O2.C13H17ClN4O3.C13H15ClN4O2.C5H6ClN3/c1-29-16-7-5-14(6-8-16)12-24-19-17-18(22)25-21(27(17)11-9-23-19)26-10-3-4-15(13-26)20(28)30-2;2*1-21-12(20)8-3-2-5-18(7-8)13-17-10(14)9-11(15)16-4-6-19(9)13;1-21-12(19)9-3-2-6-18(8-9)13(20)17-7-10-11(14)16-5-4-15-10;1-20-12(19)9-3-2-5-17(8-9)13-16-7-10-11(14)15-4-6-18(10)13;6-5-4(3-7)8-1-2-9-5/h5-9,11,15H,3-4,10,12-13H2,1-2H3,(H,23,24);4,6,8H,2-3,5,7H2,1H3;4,6,8H,2-3,5,7H2,1H3,(H2,15,16);4-5,9H,2-3,6-8H2,1H3,(H,17,20);4,6-7,9H,2-3,5,8H2,1H3;1-2H,3,7H2.
What are the key properties of (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate?
(3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate has a molecular weight of 1953.28 g/mol, XLogP of 11.09, 16 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)methanamine;methyl 1-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[1-bromo-8-[(4-methoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-3-yl]piperidine-3-carboxylate;methyl 1-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-3-carboxylate;methyl 1-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 159763142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).