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

C21H22F3N7OS — CID 71044875

IUPAC[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(trifluoromethyl)thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(F)(F)F)c(CN3CCCC3CO)s2)n1
InChIInChI=1S/C21H22F3N7OS/c1-12-9-31-16(13-6-26-27-7-13)8-25-20(31)19(28-12)29-18-5-15(21(22,23)24)17(33-18)10-30-4-2-3-14(30)11-32/h5-9,14,32H,2-4,10-11H2,1H3,(H,26,27)(H,28,29)
InChIKeyRZBAUUWLKREHCP-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.21
Rot. Bonds6

About [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(trifluoromethyl)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]-3-(trifluoromethyl)thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 71044875) has the molecular formula C21H22F3N7OS and a molecular weight of 477.52 g/mol. Its IUPAC name is [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(trifluoromethyl)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]-3-(trifluoromethyl)thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID71044875
Molecular FormulaC21H22F3N7OS
Molecular Weight477.52 g/mol
Exact Mass477.16
IUPAC Name[1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(trifluoromethyl)thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(F)(F)F)c(CN3CCCC3CO)s2)n1
InChIInChI=1S/C21H22F3N7OS/c1-12-9-31-16(13-6-26-27-7-13)8-25-20(31)19(28-12)29-18-5-15(21(22,23)24)17(33-18)10-30-4-2-3-14(30)11-32/h5-9,14,32H,2-4,10-11H2,1H3,(H,26,27)(H,28,29)
InChIKeyRZBAUUWLKREHCP-UHFFFAOYSA-N
XLogP4.21
TPSA94.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.21
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]-3-(trifluoromethyl)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]-3-(trifluoromethyl)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]-3-(trifluoromethyl)thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 71044875) is [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(trifluoromethyl)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]-3-(trifluoromethyl)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]-3-(trifluoromethyl)thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(F)(F)F)c(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]-3-(trifluoromethyl)thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is RZBAUUWLKREHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7OS/c1-12-9-31-16(13-6-26-27-7-13)8-25-20(31)19(28-12)29-18-5-15(21(22,23)24)17(33-18)10-30-4-2-3-14(30)11-32/h5-9,14,32H,2-4,10-11H2,1H3,(H,26,27)(H,28,29).
What are the key properties of [1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(trifluoromethyl)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]-3-(trifluoromethyl)thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 477.52 g/mol, XLogP of 4.21, 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]-3-(trifluoromethyl)thiophen-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71044875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).