3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

C25H25N9 — CID 143461145

IUPAC3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4ccc(N5C=CCN=C5)cc4)nc(C4=CCCNC4)cn23)cn1
InChIInChI=1S/C25H25N9/c1-32-15-19(13-29-32)23-14-28-25-24(31-22(16-34(23)25)18-4-2-9-26-12-18)30-20-5-7-21(8-6-20)33-11-3-10-27-17-33/h3-8,11,13-17,26H,2,9-10,12H2,1H3,(H,30,31)
InChIKeyGHNDLQDZPHWGML-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.61
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143461145) has the molecular formula C25H25N9 and a molecular weight of 451.54 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID143461145
Molecular FormulaC25H25N9
Molecular Weight451.54 g/mol
Exact Mass451.22
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4ccc(N5C=CCN=C5)cc4)nc(C4=CCCNC4)cn23)cn1
InChIInChI=1S/C25H25N9/c1-32-15-19(13-29-32)23-14-28-25-24(31-22(16-34(23)25)18-4-2-9-26-12-18)30-20-5-7-21(8-6-20)33-11-3-10-27-17-33/h3-8,11,13-17,26H,2,9-10,12H2,1H3,(H,30,31)
InChIKeyGHNDLQDZPHWGML-UHFFFAOYSA-N
XLogP3.61
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 143461145) is 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is Cn1cc(-c2cnc3c(Nc4ccc(N5C=CCN=C5)cc4)nc(C4=CCCNC4)cn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is GHNDLQDZPHWGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9/c1-32-15-19(13-29-32)23-14-28-25-24(31-22(16-34(23)25)18-4-2-9-26-12-18)30-20-5-7-21(8-6-20)33-11-3-10-27-17-33/h3-8,11,13-17,26H,2,9-10,12H2,1H3,(H,30,31).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 451.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143461145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).