N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine

C18H22N8S — CID 70989939

IUPACN-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
SMILESCn1cc(C2CN=C3C(Nc4cc(C5CCNCC5)ns4)=NC=CN32)cn1
InChIInChI=1S/C18H22N8S/c1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12/h6-9,11-12,15,19H,2-5,10H2,1H3,(H,20,23)
InChIKeyQMOJZRQDENFPIL-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.09
Rot. Bonds3

About N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine

N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (PubChem CID 70989939) has the molecular formula C18H22N8S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
PubChem CID70989939
Molecular FormulaC18H22N8S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
SMILESCn1cc(C2CN=C3C(Nc4cc(C5CCNCC5)ns4)=NC=CN32)cn1
InChIInChI=1S/C18H22N8S/c1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12/h6-9,11-12,15,19H,2-5,10H2,1H3,(H,20,23)
InChIKeyQMOJZRQDENFPIL-UHFFFAOYSA-N
XLogP2.09
TPSA82.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (CID 70989939) is N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is Cn1cc(C2CN=C3C(Nc4cc(C5CCNCC5)ns4)=NC=CN32)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The InChIKey is QMOJZRQDENFPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8S/c1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12/h6-9,11-12,15,19H,2-5,10H2,1H3,(H,20,23).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine has a molecular weight of 382.50 g/mol, XLogP of 2.09, 3 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)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 70989939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).