N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C98H101N37OS — CID 158788181

IUPACN-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)Oc1cccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1.Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(C4CCCNC4)cn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5c(c4)CNCC5)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5c(c4)NCCC5)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4nc([C@@H]5CCCN5)cs4)nccn23)cn1
InChIInChI=1S/C24H25N9.2C19H19N7.C19H20N6O.C17H18N8S/c1-31-14-18(12-28-31)22-13-27-24-23(30-21(15-33(22)24)17-3-2-8-25-11-17)29-19-4-6-20(7-5-19)32-10-9-26-16-32;1-25-12-15(10-23-25)17-11-22-19-18(21-6-7-26(17)19)24-16-3-2-13-4-5-20-9-14(13)8-16;1-25-12-14(10-23-25)17-11-22-19-18(21-7-8-26(17)19)24-15-5-4-13-3-2-6-20-16(13)9-15;1-13(2)26-16-6-4-5-15(9-16)23-18-19-21-11-17(25(19)8-7-20-18)14-10-22-24(3)12-14;1-24-9-11(7-21-24)14-8-20-16-15(19-5-6-25(14)16)23-17-22-13(10-26-17)12-3-2-4-18-12/h4-7,9-10,12-17,25H,2-3,8,11H2,1H3,(H,29,30);2-3,6-8,10-12,20H,4-5,9H2,1H3,(H,21,24);4-5,7-12,20H,2-3,6H2,1H3,(H,21,24);4-13H,1-3H3,(H,20,23);5-10,12,18H,2-4H2,1H3,(H,19,22,23)/t;;;;12-/m....0/s1
InChIKeyIRYFKYMAPSFUSY-RQZVNLNJSA-N
MW1845.21 g/mol
LogP15.69
Rot. Bonds20

About N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine

N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 158788181) has the molecular formula C98H101N37OS and a molecular weight of 1845.21 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID158788181
Molecular FormulaC98H101N37OS
Molecular Weight1845.21 g/mol
Exact Mass1843.87
IUPAC NameN-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)Oc1cccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1.Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(C4CCCNC4)cn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5c(c4)CNCC5)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5c(c4)NCCC5)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4nc([C@@H]5CCCN5)cs4)nccn23)cn1
InChIInChI=1S/C24H25N9.2C19H19N7.C19H20N6O.C17H18N8S/c1-31-14-18(12-28-31)22-13-27-24-23(30-21(15-33(22)24)17-3-2-8-25-11-17)29-19-4-6-20(7-5-19)32-10-9-26-16-32;1-25-12-15(10-23-25)17-11-22-19-18(21-6-7-26(17)19)24-16-3-2-13-4-5-20-9-14(13)8-16;1-25-12-14(10-23-25)17-11-22-19-18(21-7-8-26(17)19)24-15-5-4-13-3-2-6-20-16(13)9-15;1-13(2)26-16-6-4-5-15(9-16)23-18-19-21-11-17(25(19)8-7-20-18)14-10-22-24(3)12-14;1-24-9-11(7-21-24)14-8-20-16-15(19-5-6-25(14)16)23-17-22-13(10-26-17)12-3-2-4-18-12/h4-7,9-10,12-17,25H,2-3,8,11H2,1H3,(H,29,30);2-3,6-8,10-12,20H,4-5,9H2,1H3,(H,21,24);4-5,7-12,20H,2-3,6H2,1H3,(H,21,24);4-13H,1-3H3,(H,20,23);5-10,12,18H,2-4H2,1H3,(H,19,22,23)/t;;;;12-/m....0/s1
InChIKeyIRYFKYMAPSFUSY-RQZVNLNJSA-N
XLogP15.69
TPSA388.26 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds20
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001845.21
LogP ≤ 515.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 158788181) is N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine is CC(C)Oc1cccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1.Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(C4CCCNC4)cn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5c(c4)CNCC5)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5c(c4)NCCC5)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4nc([C@@H]5CCCN5)cs4)nccn23)cn1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is IRYFKYMAPSFUSY-RQZVNLNJSA-N. The full InChI is InChI=1S/C24H25N9.2C19H19N7.C19H20N6O.C17H18N8S/c1-31-14-18(12-28-31)22-13-27-24-23(30-21(15-33(22)24)17-3-2-8-25-11-17)29-19-4-6-20(7-5-19)32-10-9-26-16-32;1-25-12-15(10-23-25)17-11-22-19-18(21-6-7-26(17)19)24-16-3-2-13-4-5-20-9-14(13)8-16;1-25-12-14(10-23-25)17-11-22-19-18(21-7-8-26(17)19)24-15-5-4-13-3-2-6-20-16(13)9-15;1-13(2)26-16-6-4-5-15(9-16)23-18-19-21-11-17(25(19)8-7-20-18)14-10-22-24(3)12-14;1-24-9-11(7-21-24)14-8-20-16-15(19-5-6-25(14)16)23-17-22-13(10-26-17)12-3-2-4-18-12/h4-7,9-10,12-17,25H,2-3,8,11H2,1H3,(H,29,30);2-3,6-8,10-12,20H,4-5,9H2,1H3,(H,21,24);4-5,7-12,20H,2-3,6H2,1H3,(H,21,24);4-13H,1-3H3,(H,20,23);5-10,12,18H,2-4H2,1H3,(H,19,22,23)/t;;;;12-/m....0/s1.
What are the key properties of N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1845.21 g/mol, XLogP of 15.69, 20 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,3,4-tetrahydroquinolin-7-amine;3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 158788181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).