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

C25H26N8S — CID 59503797

IUPACN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(c4ccccc4)CC3)ns2)n1
InChIInChI=1S/C25H26N8S/c1-17-15-33-22(20-12-27-28-13-20)14-26-25(33)24(29-17)30-23-11-21(31-34-23)16-32-9-7-19(8-10-32)18-5-3-2-4-6-18/h2-6,11-15,19H,7-10,16H2,1H3,(H,27,28)(H,29,30)
InChIKeyWFKPYFUBBQRSSL-UHFFFAOYSA-N
MW470.61 g/mol
LogP5.01
Rot. Bonds6

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

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine (PubChem CID 59503797) has the molecular formula C25H26N8S and a molecular weight of 470.61 g/mol. Its IUPAC name is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
PubChem CID59503797
Molecular FormulaC25H26N8S
Molecular Weight470.61 g/mol
Exact Mass470.20
IUPAC NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(c4ccccc4)CC3)ns2)n1
InChIInChI=1S/C25H26N8S/c1-17-15-33-22(20-12-27-28-13-20)14-26-25(33)24(29-17)30-23-11-21(31-34-23)16-32-9-7-19(8-10-32)18-5-3-2-4-6-18/h2-6,11-15,19H,7-10,16H2,1H3,(H,27,28)(H,29,30)
InChIKeyWFKPYFUBBQRSSL-UHFFFAOYSA-N
XLogP5.01
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine?
The IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine (CID 59503797) is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(c4ccccc4)CC3)ns2)n1.
What is the InChIKey of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine?
The InChIKey is WFKPYFUBBQRSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8S/c1-17-15-33-22(20-12-27-28-13-20)14-26-25(33)24(29-17)30-23-11-21(31-34-23)16-32-9-7-19(8-10-32)18-5-3-2-4-6-18/h2-6,11-15,19H,7-10,16H2,1H3,(H,27,28)(H,29,30).
What are the key properties of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine?
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine has a molecular weight of 470.61 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 59503797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).