1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol

C20H23N7OS — CID 56679374

IUPAC1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1
InChIInChI=1S/C20H23N7OS/c1-13-10-27-17(15-7-22-23-8-15)9-21-20(27)19(24-13)25-18-6-14(12-29-18)11-26-4-2-16(28)3-5-26/h6-10,12,16,28H,2-5,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyLJTRBJOMHDXLSB-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.19
Rot. Bonds5

About 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol

1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol (PubChem CID 56679374) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol
PubChem CID56679374
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1
InChIInChI=1S/C20H23N7OS/c1-13-10-27-17(15-7-22-23-8-15)9-21-20(27)19(24-13)25-18-6-14(12-29-18)11-26-4-2-16(28)3-5-26/h6-10,12,16,28H,2-5,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyLJTRBJOMHDXLSB-UHFFFAOYSA-N
XLogP3.19
TPSA94.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol (CID 56679374) is 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1.
What is the InChIKey of 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol?
The InChIKey is LJTRBJOMHDXLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-13-10-27-17(15-7-22-23-8-15)9-21-20(27)19(24-13)25-18-6-14(12-29-18)11-26-4-2-16(28)3-5-26/h6-10,12,16,28H,2-5,11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol?
1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol has a molecular weight of 409.52 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 56679374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).