ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine

C49H66N18OS2 — CID 143460981

IUPACethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine
SMILESC=CN=C.CC.CCCc1cnsc1C.CN1C=C(c2cnc3c(Nc4ccnc(OC5CCNC5)c4)nccn23)CN1.Cn1cc(-c2cnc3c(NC4=CC(C5CCNCC5)NS4)nccn23)cn1
InChIInChI=1S/C19H22N8O.C18H22N8S.C7H11NS.C3H5N.C2H6/c1-26-12-13(9-24-26)16-11-23-19-18(22-6-7-27(16)19)25-14-2-5-21-17(8-14)28-15-3-4-20-10-15;1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12;1-3-4-7-5-8-9-6(7)2;1-3-4-2;1-2/h2,5-8,11-12,15,20,24H,3-4,9-10H2,1H3,(H,21,22,25);6-12,14,19,24H,2-5H2,1H3,(H,20,23);5H,3-4H2,1-2H3;3H,1-2H2;1-2H3
InChIKeyWWNJBRDKQSWWLQ-UHFFFAOYSA-N
MW987.33 g/mol
LogP7.66
Rot. Bonds12

About ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine

ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine (PubChem CID 143460981) has the molecular formula C49H66N18OS2 and a molecular weight of 987.33 g/mol. Its IUPAC name is ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine.

Molecular Properties

Compound Nameethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine
PubChem CID143460981
Molecular FormulaC49H66N18OS2
Molecular Weight987.33 g/mol
Exact Mass986.51
IUPAC Nameethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine
SMILESC=CN=C.CC.CCCc1cnsc1C.CN1C=C(c2cnc3c(Nc4ccnc(OC5CCNC5)c4)nccn23)CN1.Cn1cc(-c2cnc3c(NC4=CC(C5CCNCC5)NS4)nccn23)cn1
InChIInChI=1S/C19H22N8O.C18H22N8S.C7H11NS.C3H5N.C2H6/c1-26-12-13(9-24-26)16-11-23-19-18(22-6-7-27(16)19)25-14-2-5-21-17(8-14)28-15-3-4-20-10-15;1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12;1-3-4-7-5-8-9-6(7)2;1-3-4-2;1-2/h2,5-8,11-12,15,20,24H,3-4,9-10H2,1H3,(H,21,22,25);6-12,14,19,24H,2-5H2,1H3,(H,20,23);5H,3-4H2,1-2H3;3H,1-2H2;1-2H3
InChIKeyWWNJBRDKQSWWLQ-UHFFFAOYSA-N
XLogP7.66
TPSA200.99 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500987.33
LogP ≤ 57.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine with MolForge

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Related Compounds

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;methane;N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 157831901
1-[(2S)-1-[7-[[6-[2-[2-[2-[2-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 175886624
2-[(2S)-1-[7-[[6-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 175886828
3-(1-methylpyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 11552562
3-(1-methylpyrazol-4-yl)-N-[2-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 11667954
3-(1H-pyrazol-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 71033566
3-(1H-pyrazol-4-yl)-N-[2-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 71033567
3-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 73004525
3-[(6-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;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;bis(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 123652778
3-(2-methyl-1H-pyrazol-2-ium-4-yl)-N-[2-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 143464995
N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
CID 143756584
N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 143756850

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine?
The IUPAC name of ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine (CID 143460981) is ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine.
What is the SMILES notation for ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine?
The canonical SMILES for ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine is C=CN=C.CC.CCCc1cnsc1C.CN1C=C(c2cnc3c(Nc4ccnc(OC5CCNC5)c4)nccn23)CN1.Cn1cc(-c2cnc3c(NC4=CC(C5CCNCC5)NS4)nccn23)cn1.
What is the InChIKey of ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine?
The InChIKey is WWNJBRDKQSWWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O.C18H22N8S.C7H11NS.C3H5N.C2H6/c1-26-12-13(9-24-26)16-11-23-19-18(22-6-7-27(16)19)25-14-2-5-21-17(8-14)28-15-3-4-20-10-15;1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12;1-3-4-7-5-8-9-6(7)2;1-3-4-2;1-2/h2,5-8,11-12,15,20,24H,3-4,9-10H2,1H3,(H,21,22,25);6-12,14,19,24H,2-5H2,1H3,(H,20,23);5H,3-4H2,1-2H3;3H,1-2H2;1-2H3.
What are the key properties of ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine?
ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine has a molecular weight of 987.33 g/mol, XLogP of 7.66, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylmethanimine;3-(2-methyl-1,5-dihydropyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;5-methyl-4-propyl-1,2-thiazole;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-2,3-dihydro-1,2-thiazol-5-amine is sourced from PubChem (CID 143460981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).