1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate

C63H65N25O5 — CID 87151680

IUPAC1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)[nH]1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)N4CCOCC4C)cc3)nc3ccccn23)n1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)NC4CC4)cc3)nc3ccccn23)n1
InChIInChI=1S/C24H26N8O2.C22H22N8O.C17H17N9O2/c1-15-14-34-12-11-31(15)24(33)29-18-8-6-17(7-9-18)28-23-22(19-13-20(25)27-16(2)26-19)32-10-4-3-5-21(32)30-23;1-13-24-17(12-18(23)25-13)20-21(29-19-4-2-3-11-30(19)20)26-14-5-7-15(8-6-14)27-22(31)28-16-9-10-16;1-3-28-16(27)11-8-19-17(23-11)25-15-14(10-7-12(18)22-9(2)21-10)26-13(24-15)5-4-6-20-26/h3-10,13,15,28H,11-12,14H2,1-2H3,(H,29,33)(H2,25,26,27);2-8,11-12,16,26H,9-10H2,1H3,(H2,23,24,25)(H2,27,28,31);4-8H,3H2,1-2H3,(H2,18,21,22)(H2,19,23,25)
InChIKeyBRNCLCANQNGMFJ-UHFFFAOYSA-N
MW1252.38 g/mol
LogP9.11
Rot. Bonds14

About 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate

1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate (PubChem CID 87151680) has the molecular formula C63H65N25O5 and a molecular weight of 1252.38 g/mol. Its IUPAC name is 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Name1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate
PubChem CID87151680
Molecular FormulaC63H65N25O5
Molecular Weight1252.38 g/mol
Exact Mass1251.56
IUPAC Name1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)[nH]1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)N4CCOCC4C)cc3)nc3ccccn23)n1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)NC4CC4)cc3)nc3ccccn23)n1
InChIInChI=1S/C24H26N8O2.C22H22N8O.C17H17N9O2/c1-15-14-34-12-11-31(15)24(33)29-18-8-6-17(7-9-18)28-23-22(19-13-20(25)27-16(2)26-19)32-10-4-3-5-21(32)30-23;1-13-24-17(12-18(23)25-13)20-21(29-19-4-2-3-11-30(19)20)26-14-5-7-15(8-6-14)27-22(31)28-16-9-10-16;1-3-28-16(27)11-8-19-17(23-11)25-15-14(10-7-12(18)22-9(2)21-10)26-13(24-15)5-4-6-20-26/h3-10,13,15,28H,11-12,14H2,1-2H3,(H,29,33)(H2,25,26,27);2-8,11-12,16,26H,9-10H2,1H3,(H2,23,24,25)(H2,27,28,31);4-8H,3H2,1-2H3,(H2,18,21,22)(H2,19,23,25)
InChIKeyBRNCLCANQNGMFJ-UHFFFAOYSA-N
XLogP9.11
TPSA393.96 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001252.38
LogP ≤ 59.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate?
The IUPAC name of 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate (CID 87151680) is 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate.
What is the SMILES notation for 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate?
The canonical SMILES for 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate is CCOC(=O)c1cnc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)[nH]1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)N4CCOCC4C)cc3)nc3ccccn23)n1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)NC4CC4)cc3)nc3ccccn23)n1.
What is the InChIKey of 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate?
The InChIKey is BRNCLCANQNGMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2.C22H22N8O.C17H17N9O2/c1-15-14-34-12-11-31(15)24(33)29-18-8-6-17(7-9-18)28-23-22(19-13-20(25)27-16(2)26-19)32-10-4-3-5-21(32)30-23;1-13-24-17(12-18(23)25-13)20-21(29-19-4-2-3-11-30(19)20)26-14-5-7-15(8-6-14)27-22(31)28-16-9-10-16;1-3-28-16(27)11-8-19-17(23-11)25-15-14(10-7-12(18)22-9(2)21-10)26-13(24-15)5-4-6-20-26/h3-10,13,15,28H,11-12,14H2,1-2H3,(H,29,33)(H2,25,26,27);2-8,11-12,16,26H,9-10H2,1H3,(H2,23,24,25)(H2,27,28,31);4-8H,3H2,1-2H3,(H2,18,21,22)(H2,19,23,25).
What are the key properties of 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate?
1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate has a molecular weight of 1252.38 g/mol, XLogP of 9.11, 14 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 87151680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).