1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine

C57H55F3N26O2 — CID 87151742

IUPAC1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine
SMILESCCNC(=O)Nc1ccc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)cc1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)NC4CC4)cc3)nc3cccnn23)n1.Cc1nc(N)cc(-c2c(Nc3ccn[nH]3)nc3ccc(C(F)(F)F)cn23)n1
InChIInChI=1S/C21H21N9O.C20H21N9O.C16H13F3N8/c1-12-24-16(11-17(22)25-12)19-20(29-18-3-2-10-23-30(18)19)26-13-4-6-14(7-5-13)27-21(31)28-15-8-9-15;1-3-22-20(30)27-14-8-6-13(7-9-14)26-19-18(15-11-16(21)25-12(2)24-15)29-17(28-19)5-4-10-23-29;1-8-22-10(6-11(20)23-8)14-15(24-12-4-5-21-26-12)25-13-3-2-9(7-27(13)14)16(17,18)19/h2-7,10-11,15,26H,8-9H2,1H3,(H2,22,24,25)(H2,27,28,31);4-11,26H,3H2,1-2H3,(H2,21,24,25)(H2,22,27,30);2-7H,1H3,(H2,20,22,23)(H2,21,24,26)
InChIKeyXJVVYWUKKOVZEN-UHFFFAOYSA-N
MW1193.24 g/mol
LogP9.23
Rot. Bonds13

About 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine

1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 87151742) has the molecular formula C57H55F3N26O2 and a molecular weight of 1193.24 g/mol. Its IUPAC name is 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID87151742
Molecular FormulaC57H55F3N26O2
Molecular Weight1193.24 g/mol
Exact Mass1192.50
IUPAC Name1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine
SMILESCCNC(=O)Nc1ccc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)cc1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)NC4CC4)cc3)nc3cccnn23)n1.Cc1nc(N)cc(-c2c(Nc3ccn[nH]3)nc3ccc(C(F)(F)F)cn23)n1
InChIInChI=1S/C21H21N9O.C20H21N9O.C16H13F3N8/c1-12-24-16(11-17(22)25-12)19-20(29-18-3-2-10-23-30(18)19)26-13-4-6-14(7-5-13)27-21(31)28-15-8-9-15;1-3-22-20(30)27-14-8-6-13(7-9-14)26-19-18(15-11-16(21)25-12(2)24-15)29-17(28-19)5-4-10-23-29;1-8-22-10(6-11(20)23-8)14-15(24-12-4-5-21-26-12)25-13-3-2-9(7-27(13)14)16(17,18)19/h2-7,10-11,15,26H,8-9H2,1H3,(H2,22,24,25)(H2,27,28,31);4-11,26H,3H2,1-2H3,(H2,21,24,25)(H2,22,27,30);2-7H,1H3,(H2,20,22,23)(H2,21,24,26)
InChIKeyXJVVYWUKKOVZEN-UHFFFAOYSA-N
XLogP9.23
TPSA380.11 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001193.24
LogP ≤ 59.23
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Analyze 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine 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-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine (CID 87151742) is 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine is CCNC(=O)Nc1ccc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)cc1.Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)NC4CC4)cc3)nc3cccnn23)n1.Cc1nc(N)cc(-c2c(Nc3ccn[nH]3)nc3ccc(C(F)(F)F)cn23)n1.
What is the InChIKey of 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is XJVVYWUKKOVZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O.C20H21N9O.C16H13F3N8/c1-12-24-16(11-17(22)25-12)19-20(29-18-3-2-10-23-30(18)19)26-13-4-6-14(7-5-13)27-21(31)28-15-8-9-15;1-3-22-20(30)27-14-8-6-13(7-9-14)26-19-18(15-11-16(21)25-12(2)24-15)29-17(28-19)5-4-10-23-29;1-8-22-10(6-11(20)23-8)14-15(24-12-4-5-21-26-12)25-13-3-2-9(7-27(13)14)16(17,18)19/h2-7,10-11,15,26H,8-9H2,1H3,(H2,22,24,25)(H2,27,28,31);4-11,26H,3H2,1-2H3,(H2,21,24,25)(H2,22,27,30);2-7H,1H3,(H2,20,22,23)(H2,21,24,26).
What are the key properties of 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine?
1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 1193.24 g/mol, XLogP of 9.23, 13 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 87151742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).