N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine

C81H64FN33O — CID 157245934

IUPACN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)on1.Cn1cc(-c2cnc3c(Nc4ccc5[nH]nc(-c6ccc(F)cc6)c5c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5[nH]nc(-c6ccncc6)c5c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5nc(-c6cccnc6)[nH]c5c4)nccn23)cn1
InChIInChI=1S/C23H17FN8.2C22H17N9.C14H13N7O/c1-31-13-15(11-27-31)20-12-26-23-22(25-8-9-32(20)23)28-17-6-7-19-18(10-17)21(30-29-19)14-2-4-16(24)5-3-14;1-30-13-15(11-26-30)19-12-25-22-21(24-8-9-31(19)22)27-16-2-3-18-17(10-16)20(29-28-18)14-4-6-23-7-5-14;1-30-13-15(11-26-30)19-12-25-22-21(24-7-8-31(19)22)27-16-4-5-17-18(9-16)29-20(28-17)14-3-2-6-23-10-14;1-9-5-12(22-19-9)18-13-14-16-7-11(21(14)4-3-15-13)10-6-17-20(2)8-10/h2-13H,1H3,(H,25,28)(H,29,30);2*2-13H,1H3,(H,24,27)(H,28,29);3-8H,1-2H3,(H,15,18)
InChIKeyAVTNTKJKAKQICZ-UHFFFAOYSA-N
MW1534.63 g/mol
LogP14.35
Rot. Bonds15

About N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 157245934) has the molecular formula C81H64FN33O and a molecular weight of 1534.63 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID157245934
Molecular FormulaC81H64FN33O
Molecular Weight1534.63 g/mol
Exact Mass1533.60
IUPAC NameN-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)on1.Cn1cc(-c2cnc3c(Nc4ccc5[nH]nc(-c6ccc(F)cc6)c5c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5[nH]nc(-c6ccncc6)c5c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5nc(-c6cccnc6)[nH]c5c4)nccn23)cn1
InChIInChI=1S/C23H17FN8.2C22H17N9.C14H13N7O/c1-31-13-15(11-27-31)20-12-26-23-22(25-8-9-32(20)23)28-17-6-7-19-18(10-17)21(30-29-19)14-2-4-16(24)5-3-14;1-30-13-15(11-26-30)19-12-25-22-21(24-8-9-31(19)22)27-16-2-3-18-17(10-16)20(29-28-18)14-4-6-23-7-5-14;1-30-13-15(11-26-30)19-12-25-22-21(24-7-8-31(19)22)27-16-4-5-17-18(9-16)29-20(28-17)14-3-2-6-23-10-14;1-9-5-12(22-19-9)18-13-14-16-7-11(21(14)4-3-15-13)10-6-17-20(2)8-10/h2-13H,1H3,(H,25,28)(H,29,30);2*2-13H,1H3,(H,24,27)(H,28,29);3-8H,1-2H3,(H,15,18)
InChIKeyAVTNTKJKAKQICZ-UHFFFAOYSA-N
XLogP14.35
TPSA378.01 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms116
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001534.63
LogP ≤ 514.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 157245934) is N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)on1.Cn1cc(-c2cnc3c(Nc4ccc5[nH]nc(-c6ccc(F)cc6)c5c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5[nH]nc(-c6ccncc6)c5c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5nc(-c6cccnc6)[nH]c5c4)nccn23)cn1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is AVTNTKJKAKQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN8.2C22H17N9.C14H13N7O/c1-31-13-15(11-27-31)20-12-26-23-22(25-8-9-32(20)23)28-17-6-7-19-18(10-17)21(30-29-19)14-2-4-16(24)5-3-14;1-30-13-15(11-26-30)19-12-25-22-21(24-8-9-31(19)22)27-16-2-3-18-17(10-16)20(29-28-18)14-4-6-23-7-5-14;1-30-13-15(11-26-30)19-12-25-22-21(24-7-8-31(19)22)27-16-4-5-17-18(9-16)29-20(28-17)14-3-2-6-23-10-14;1-9-5-12(22-19-9)18-13-14-16-7-11(21(14)4-3-15-13)10-6-17-20(2)8-10/h2-13H,1H3,(H,25,28)(H,29,30);2*2-13H,1H3,(H,24,27)(H,28,29);3-8H,1-2H3,(H,15,18).
What are the key properties of N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1534.63 g/mol, XLogP of 14.35, 15 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 157245934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).