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

C22H21F2N5O2 — CID 155884307

IUPAC(2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-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(-c3ccnc(CO)c3)cn12
InChIInChI=1S/C22H21F2N5O2/c1-12-3-4-14(22(2,31)21(23)24)8-16(12)18-9-27-20-19(25)28-17(10-29(18)20)13-5-6-26-15(7-13)11-30/h3-10,21,30-31H,11H2,1-2H3,(H2,25,28)/t22-/m1/s1
InChIKeyMATAVIMQKMNSMA-JOCHJYFZSA-N
MW425.44 g/mol
LogP3.31
Rot. Bonds5

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

(2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (PubChem CID 155884307) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is (2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
PubChem CID155884307
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC Name(2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-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(-c3ccnc(CO)c3)cn12
InChIInChI=1S/C22H21F2N5O2/c1-12-3-4-14(22(2,31)21(23)24)8-16(12)18-9-27-20-19(25)28-17(10-29(18)20)13-5-6-26-15(7-13)11-30/h3-10,21,30-31H,11H2,1-2H3,(H2,25,28)/t22-/m1/s1
InChIKeyMATAVIMQKMNSMA-JOCHJYFZSA-N
XLogP3.31
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The IUPAC name of (2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (CID 155884307) is (2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for (2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The canonical SMILES for (2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-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(-c3ccnc(CO)c3)cn12.
What is the InChIKey of (2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The InChIKey is MATAVIMQKMNSMA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c1-12-3-4-14(22(2,31)21(23)24)8-16(12)18-9-27-20-19(25)28-17(10-29(18)20)13-5-6-26-15(7-13)11-30/h3-10,21,30-31H,11H2,1-2H3,(H2,25,28)/t22-/m1/s1.
What are the key properties of (2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
(2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol has a molecular weight of 425.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[8-amino-6-[2-(hydroxymethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 155884307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).