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

C17H18N8S — CID 71033489

IUPAC3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C3CCCNC3)ns2)n1
InChIInChI=1S/C17H18N8S/c1-2-11(7-18-3-1)13-6-15(26-24-13)23-16-17-20-10-14(12-8-21-22-9-12)25(17)5-4-19-16/h4-6,8-11,18H,1-3,7H2,(H,19,23)(H,21,22)
InChIKeyPCUGKWKQXOWCNJ-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.79
Rot. Bonds4

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

3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 71033489) has the molecular formula C17H18N8S and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID71033489
Molecular FormulaC17H18N8S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC Name3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C3CCCNC3)ns2)n1
InChIInChI=1S/C17H18N8S/c1-2-11(7-18-3-1)13-6-15(26-24-13)23-16-17-20-10-14(12-8-21-22-9-12)25(17)5-4-19-16/h4-6,8-11,18H,1-3,7H2,(H,19,23)(H,21,22)
InChIKeyPCUGKWKQXOWCNJ-UHFFFAOYSA-N
XLogP2.79
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 71033489) is 3-piperidin-3-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-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is c1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C3CCCNC3)ns2)n1.
What is the InChIKey of 3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is PCUGKWKQXOWCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8S/c1-2-11(7-18-3-1)13-6-15(26-24-13)23-16-17-20-10-14(12-8-21-22-9-12)25(17)5-4-19-16/h4-6,8-11,18H,1-3,7H2,(H,19,23)(H,21,22).
What are the key properties of 3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 366.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 71033489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).