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

C20H23N7OS — CID 71044879

IUPAC[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(CN3CCCC3CO)s2)n1
InChIInChI=1S/C20H23N7OS/c1-13-10-27-17(14-7-22-23-8-14)9-21-20(27)19(24-13)25-18-5-4-16(29-18)11-26-6-2-3-15(26)12-28/h4-5,7-10,15,28H,2-3,6,11-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyINJZBTWRCCIGKM-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.19
Rot. Bonds6

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

[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 71044879) 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-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID71044879
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(CN3CCCC3CO)s2)n1
InChIInChI=1S/C20H23N7OS/c1-13-10-27-17(14-7-22-23-8-14)9-21-20(27)19(24-13)25-18-5-4-16(29-18)11-26-6-2-3-15(26)12-28/h4-5,7-10,15,28H,2-3,6,11-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyINJZBTWRCCIGKM-UHFFFAOYSA-N
XLogP3.19
TPSA94.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
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-2-yl]methyl]pyrrolidin-2-yl]methanol 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-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 71044879) is [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(CN3CCCC3CO)s2)n1.
What is the InChIKey of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is INJZBTWRCCIGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-13-10-27-17(14-7-22-23-8-14)9-21-20(27)19(24-13)25-18-5-4-16(29-18)11-26-6-2-3-15(26)12-28/h4-5,7-10,15,28H,2-3,6,11-12H2,1H3,(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-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 409.52 g/mol, XLogP of 3.19, 6 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-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71044879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).