N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C39H42N18O2S — CID 67535436

About N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 67535436) has the molecular formula C39H42N18O2S and a molecular weight of 826.96 g/mol. Its IUPAC name is N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 67535436
• Molecular Formula: C39H42N18O2S
• Molecular Weight: 826.96 g/mol
• Exact Mass: 826.35
• IUPAC Name: N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: Cc1cc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)sn1.Cc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cn23)n1
• InChI: InChI=1S/C24H28N10O2.C15H14N8S/c1-14-27-20(31-22(25)28-14)19-21(29-17-7-10-26-32-17)30-18-6-5-16(13-34(18)19)15-8-11-33(12-9-15)23(35)36-24(2,3)4;1-8-6-13(24-22-8)21-15-14(10-7-11(16)19-9(2)18-10)23-12(20-15)4-3-5-17-23/h5-8,10,13H,9,11-12H2,1-4H3,(H2,26,29,32)(H2,25,27,28,31);3-7,21H,1-2H3,(H2,16,18,19)
• InChIKey: QRBHXZLSORZKRK-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 259.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	826.96
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 67535436) is N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)sn1.Cc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cn23)n1.

What is the InChIKey of N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is QRBHXZLSORZKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N10O2.C15H14N8S/c1-14-27-20(31-22(25)28-14)19-21(29-17-7-10-26-32-17)30-18-6-5-16(13-34(18)19)15-8-11-33(12-9-15)23(35)36-24(2,3)4;1-8-6-13(24-22-8)21-15-14(10-7-11(16)19-9(2)18-10)23-12(20-15)4-3-5-17-23/h5-8,10,13H,9,11-12H2,1-4H3,(H2,26,29,32)(H2,25,27,28,31);3-7,21H,1-2H3,(H2,16,18,19).

What are the key properties of N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 826.96 g/mol, XLogP of 6.15, 7 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-thiazol-5-amine;tert-butyl 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 67535436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).