2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

C22H20F3N5O2 — CID 138562068

IUPAC2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3ccnc(CO)c3)cn12
InChIInChI=1S/C22H20F3N5O2/c1-12-3-4-14(21(2,32)22(23,24)25)8-16(12)18-9-28-20-19(26)29-17(10-30(18)20)13-5-6-27-15(7-13)11-31/h3-10,31-32H,11H2,1-2H3,(H2,26,29)
InChIKeyLGSPRNFEAYMGNC-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.61
Rot. Bonds4

About 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138562068) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138562068
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3ccnc(CO)c3)cn12
InChIInChI=1S/C22H20F3N5O2/c1-12-3-4-14(21(2,32)22(23,24)25)8-16(12)18-9-28-20-19(26)29-17(10-30(18)20)13-5-6-27-15(7-13)11-31/h3-10,31-32H,11H2,1-2H3,(H2,26,29)
InChIKeyLGSPRNFEAYMGNC-UHFFFAOYSA-N
XLogP3.61
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138562068) is 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3ccnc(CO)c3)cn12.
What is the InChIKey of 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LGSPRNFEAYMGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-12-3-4-14(21(2,32)22(23,24)25)8-16(12)18-9-28-20-19(26)29-17(10-30(18)20)13-5-6-27-15(7-13)11-31/h3-10,31-32H,11H2,1-2H3,(H2,26,29).
What are the key properties of 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 443.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138562068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).