N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine

C61H69N25S2 — CID 143465166

IUPACN-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine
SMILESC=CN(/C=C\CC)c1ccc(Nc2nc(C#N)cn3c(-c4cnn(C)c4)cnc23)cc1.CCNC.Cc1cc(Nc2nc(CCCN)cn3c(-c4cnn(N5CCCCC(c6cc(Nc7nccn8c(-c9cnn(C)c9)cnc78)sn6)C5)c4)cnc23)sn1
InChIInChI=1S/C35H38N16S2.C23H22N8.C3H9N/c1-22-12-30(52-45-22)44-33-35-39-17-29(50(35)21-26(42-33)7-5-8-36)25-15-41-51(20-25)48-10-4-3-6-23(19-48)27-13-31(53-46-27)43-32-34-38-16-28(49(34)11-9-37-32)24-14-40-47(2)18-24;1-4-6-11-30(5-2)20-9-7-18(8-10-20)27-22-23-25-14-21(17-13-26-29(3)15-17)31(23)16-19(12-24)28-22;1-3-4-2/h9,11-18,20-21,23H,3-8,10,19,36H2,1-2H3,(H,37,43)(H,42,44);5-11,13-16H,2,4H2,1,3H3,(H,27,28);4H,3H2,1-2H3/b;11-6-;
InChIKeyDVESWMQATTYQPK-QDRXIZIFSA-N
MW1216.53 g/mol
LogP10.39
Rot. Bonds19

About N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine

N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine (PubChem CID 143465166) has the molecular formula C61H69N25S2 and a molecular weight of 1216.53 g/mol. Its IUPAC name is N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine.

Molecular Properties

Compound NameN-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine
PubChem CID143465166
Molecular FormulaC61H69N25S2
Molecular Weight1216.53 g/mol
Exact Mass1215.56
IUPAC NameN-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine
SMILESC=CN(/C=C\CC)c1ccc(Nc2nc(C#N)cn3c(-c4cnn(C)c4)cnc23)cc1.CCNC.Cc1cc(Nc2nc(CCCN)cn3c(-c4cnn(N5CCCCC(c6cc(Nc7nccn8c(-c9cnn(C)c9)cnc78)sn6)C5)c4)cnc23)sn1
InChIInChI=1S/C35H38N16S2.C23H22N8.C3H9N/c1-22-12-30(52-45-22)44-33-35-39-17-29(50(35)21-26(42-33)7-5-8-36)25-15-41-51(20-25)48-10-4-3-6-23(19-48)27-13-31(53-46-27)43-32-34-38-16-28(49(34)11-9-37-32)24-14-40-47(2)18-24;1-4-6-11-30(5-2)20-9-7-18(8-10-20)27-22-23-25-14-21(17-13-26-29(3)15-17)31(23)16-19(12-24)28-22;1-3-4-2/h9,11-18,20-21,23H,3-8,10,19,36H2,1-2H3,(H,37,43)(H,42,44);5-11,13-16H,2,4H2,1,3H3,(H,27,28);4H,3H2,1-2H3/b;11-6-;
InChIKeyDVESWMQATTYQPK-QDRXIZIFSA-N
XLogP10.39
TPSA274.22 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001216.53
LogP ≤ 510.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine with MolForge

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Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
CID 25145716
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(6-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25143601
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(5-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145713
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145714
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(3-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145715
N-[[3-(dimethylamino)phenyl]methyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 44177956
3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 56662867
N-benzyl-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503456
N-[3-[1-(1H-benzimidazol-2-ylmethyl)pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 59503644
N-benzyl-N-methyl-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503657
N-[6-methyl-3-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 70683503

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine?
The IUPAC name of N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine (CID 143465166) is N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine.
What is the SMILES notation for N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine?
The canonical SMILES for N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine is C=CN(/C=C\CC)c1ccc(Nc2nc(C#N)cn3c(-c4cnn(C)c4)cnc23)cc1.CCNC.Cc1cc(Nc2nc(CCCN)cn3c(-c4cnn(N5CCCCC(c6cc(Nc7nccn8c(-c9cnn(C)c9)cnc78)sn6)C5)c4)cnc23)sn1.
What is the InChIKey of N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine?
The InChIKey is DVESWMQATTYQPK-QDRXIZIFSA-N. The full InChI is InChI=1S/C35H38N16S2.C23H22N8.C3H9N/c1-22-12-30(52-45-22)44-33-35-39-17-29(50(35)21-26(42-33)7-5-8-36)25-15-41-51(20-25)48-10-4-3-6-23(19-48)27-13-31(53-46-27)43-32-34-38-16-28(49(34)11-9-37-32)24-14-40-47(2)18-24;1-4-6-11-30(5-2)20-9-7-18(8-10-20)27-22-23-25-14-21(17-13-26-29(3)15-17)31(23)16-19(12-24)28-22;1-3-4-2/h9,11-18,20-21,23H,3-8,10,19,36H2,1-2H3,(H,37,43)(H,42,44);5-11,13-16H,2,4H2,1,3H3,(H,27,28);4H,3H2,1-2H3/b;11-6-;.
What are the key properties of N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine?
N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine has a molecular weight of 1216.53 g/mol, XLogP of 10.39, 19 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminopropyl)-3-[1-[3-[5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]azepan-1-yl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;8-[4-[[(Z)-but-1-enyl]-ethenylamino]anilino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile;N-methylethanamine is sourced from PubChem (CID 143465166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).