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

C21H24N8S — CID 58873817

IUPACN-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
SMILESCC(C)c1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C21H24N8S/c1-13(2)16-7-19(30-27-16)26-20-21-23-10-18(15-9-24-28(3)11-15)29(21)12-17(25-20)14-5-4-6-22-8-14/h5,7,9-13,22H,4,6,8H2,1-3H3,(H,25,26)
InChIKeySNHNLQFCNUJRQF-UHFFFAOYSA-N
MW420.55 g/mol
LogP3.83
Rot. Bonds5

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

N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine (PubChem CID 58873817) has the molecular formula C21H24N8S and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
PubChem CID58873817
Molecular FormulaC21H24N8S
Molecular Weight420.55 g/mol
Exact Mass420.18
IUPAC NameN-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
SMILESCC(C)c1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C21H24N8S/c1-13(2)16-7-19(30-27-16)26-20-21-23-10-18(15-9-24-28(3)11-15)29(21)12-17(25-20)14-5-4-6-22-8-14/h5,7,9-13,22H,4,6,8H2,1-3H3,(H,25,26)
InChIKeySNHNLQFCNUJRQF-UHFFFAOYSA-N
XLogP3.83
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine (CID 58873817) is N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine is CC(C)c1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
The InChIKey is SNHNLQFCNUJRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8S/c1-13(2)16-7-19(30-27-16)26-20-21-23-10-18(15-9-24-28(3)11-15)29(21)12-17(25-20)14-5-4-6-22-8-14/h5,7,9-13,22H,4,6,8H2,1-3H3,(H,25,26).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine has a molecular weight of 420.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 58873817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).