N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine

C37H35N13OS — CID 68581526

IUPACN-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(-c3ccccc3)cn3ccnc23)n[nH]1.Cc1cn2cc(Sc3ccc(NC(=O)C4CC4)cc3)nc(Nc3cc(C)[nH]n3)c2n1
InChIInChI=1S/C21H21N7OS.C16H14N6/c1-12-9-17(27-26-12)24-19-20-22-13(2)10-28(20)11-18(25-19)30-16-7-5-15(6-8-16)23-21(29)14-3-4-14;1-11-9-14(21-20-11)19-15-16-17-7-8-22(16)10-13(18-15)12-5-3-2-4-6-12/h5-11,14H,3-4H2,1-2H3,(H,23,29)(H2,24,25,26,27);2-10H,1H3,(H2,18,19,20,21)
InChIKeyPSKZFPPNHNSUJY-UHFFFAOYSA-N
MW709.84 g/mol
LogP7.48
Rot. Bonds9

About N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine

N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 68581526) has the molecular formula C37H35N13OS and a molecular weight of 709.84 g/mol. Its IUPAC name is N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
PubChem CID68581526
Molecular FormulaC37H35N13OS
Molecular Weight709.84 g/mol
Exact Mass709.28
IUPAC NameN-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(-c3ccccc3)cn3ccnc23)n[nH]1.Cc1cn2cc(Sc3ccc(NC(=O)C4CC4)cc3)nc(Nc3cc(C)[nH]n3)c2n1
InChIInChI=1S/C21H21N7OS.C16H14N6/c1-12-9-17(27-26-12)24-19-20-22-13(2)10-28(20)11-18(25-19)30-16-7-5-15(6-8-16)23-21(29)14-3-4-14;1-11-9-14(21-20-11)19-15-16-17-7-8-22(16)10-13(18-15)12-5-3-2-4-6-12/h5-11,14H,3-4H2,1-2H3,(H,23,29)(H2,24,25,26,27);2-10H,1H3,(H2,18,19,20,21)
InChIKeyPSKZFPPNHNSUJY-UHFFFAOYSA-N
XLogP7.48
TPSA170.90 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500709.84
LogP ≤ 57.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine (CID 68581526) is N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine is Cc1cc(Nc2nc(-c3ccccc3)cn3ccnc23)n[nH]1.Cc1cn2cc(Sc3ccc(NC(=O)C4CC4)cc3)nc(Nc3cc(C)[nH]n3)c2n1.
What is the InChIKey of N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is PSKZFPPNHNSUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS.C16H14N6/c1-12-9-17(27-26-12)24-19-20-22-13(2)10-28(20)11-18(25-19)30-16-7-5-15(6-8-16)23-21(29)14-3-4-14;1-11-9-14(21-20-11)19-15-16-17-7-8-22(16)10-13(18-15)12-5-3-2-4-6-12/h5-11,14H,3-4H2,1-2H3,(H,23,29)(H2,24,25,26,27);2-10H,1H3,(H2,18,19,20,21).
What are the key properties of N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 709.84 g/mol, XLogP of 7.48, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-8-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;N-(5-methyl-1H-pyrazol-3-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 68581526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).