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

C23H23F2N5O2 — CID 138562199

IUPAC2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3ccc(C(C)O)nc3)cn12
InChIInChI=1S/C23H23F2N5O2/c1-12-4-6-15(23(3,32)22(24)25)8-16(12)19-10-28-21-20(26)29-18(11-30(19)21)14-5-7-17(13(2)31)27-9-14/h4-11,13,22,31-32H,1-3H3,(H2,26,29)
InChIKeyQYHPWSNPVYYJRQ-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.87
Rot. Bonds5

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

2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (PubChem CID 138562199) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 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-difluoropropan-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-difluoropropan-2-ol
PubChem CID138562199
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3ccc(C(C)O)nc3)cn12
InChIInChI=1S/C23H23F2N5O2/c1-12-4-6-15(23(3,32)22(24)25)8-16(12)19-10-28-21-20(26)29-18(11-30(19)21)14-5-7-17(13(2)31)27-9-14/h4-11,13,22,31-32H,1-3H3,(H2,26,29)
InChIKeyQYHPWSNPVYYJRQ-UHFFFAOYSA-N
XLogP3.87
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.87
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-difluoropropan-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-difluoropropan-2-ol (CID 138562199) is 2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-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-difluoropropan-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-difluoropropan-2-ol is Cc1ccc(C(C)(O)C(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-difluoropropan-2-ol?
The InChIKey is QYHPWSNPVYYJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-12-4-6-15(23(3,32)22(24)25)8-16(12)19-10-28-21-20(26)29-18(11-30(19)21)14-5-7-17(13(2)31)27-9-14/h4-11,13,22,31-32H,1-3H3,(H2,26,29).
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-difluoropropan-2-ol?
2-[3-[8-amino-6-[6-(1-hydroxyethyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol has a molecular weight of 439.47 g/mol, XLogP of 3.87, 5 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-difluoropropan-2-ol is sourced from PubChem (CID 138562199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).