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

C23H22F3N5O2 — CID 155884324

IUPAC2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-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(-c3ccc(C(C)O)nc3)cn12
InChIInChI=1S/C23H22F3N5O2/c1-12-4-6-15(22(3,33)23(24,25)26)8-16(12)19-10-29-21-20(27)30-18(11-31(19)21)14-5-7-17(13(2)32)28-9-14/h4-11,13,32-33H,1-3H3,(H2,27,30)
InChIKeyVSFUFCFQEFEEAD-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.17
Rot. Bonds4

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

2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 155884324) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID155884324
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-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(-c3ccc(C(C)O)nc3)cn12
InChIInChI=1S/C23H22F3N5O2/c1-12-4-6-15(22(3,33)23(24,25)26)8-16(12)19-10-29-21-20(27)30-18(11-31(19)21)14-5-7-17(13(2)32)28-9-14/h4-11,13,32-33H,1-3H3,(H2,27,30)
InChIKeyVSFUFCFQEFEEAD-UHFFFAOYSA-N
XLogP4.17
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.17
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-[6-(1-hydroxyethyl)-3-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-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 155884324) is 2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-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-[6-(1-hydroxyethyl)-3-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-[6-(1-hydroxyethyl)-3-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(-c3ccc(C(C)O)nc3)cn12.
What is the InChIKey of 2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is VSFUFCFQEFEEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-12-4-6-15(22(3,33)23(24,25)26)8-16(12)19-10-29-21-20(27)30-18(11-31(19)21)14-5-7-17(13(2)32)28-9-14/h4-11,13,32-33H,1-3H3,(H2,27,30).
What are the key properties of 2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 457.46 g/mol, XLogP of 4.17, 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-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 155884324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).