3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C18H18N8S — CID 71196494

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCN1CC=C(c2cc(Nc3nccn4c(-c5cn[nH]c5)cnc34)sn2)CC1
InChIInChI=1S/C18H18N8S/c1-25-5-2-12(3-6-25)14-8-16(27-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h2,4,7-11H,3,5-6H2,1H3,(H,19,23)(H,21,22)
InChIKeyXWDOUNYJETZFOW-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.04
Rot. Bonds4

About 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 71196494) has the molecular formula C18H18N8S and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID71196494
Molecular FormulaC18H18N8S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCN1CC=C(c2cc(Nc3nccn4c(-c5cn[nH]c5)cnc34)sn2)CC1
InChIInChI=1S/C18H18N8S/c1-25-5-2-12(3-6-25)14-8-16(27-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h2,4,7-11H,3,5-6H2,1H3,(H,19,23)(H,21,22)
InChIKeyXWDOUNYJETZFOW-UHFFFAOYSA-N
XLogP3.04
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 71196494) is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CN1CC=C(c2cc(Nc3nccn4c(-c5cn[nH]c5)cnc34)sn2)CC1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is XWDOUNYJETZFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8S/c1-25-5-2-12(3-6-25)14-8-16(27-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h2,4,7-11H,3,5-6H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 378.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 71196494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).