CID 142562208

C19H15B3F6N4O2 — CID 142562208

IUPAC—
SMILES[B]C([B])([B])c1ccc(C(O)(C(C)(C)O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C19H15B3F6N4O2/c1-15(2,33)16(34,19(26,27)28)8-3-4-10(17(20,21)22)9(5-8)11-6-30-14-13(29)31-12(7-32(11)14)18(23,24)25/h3-7,33-34H,1-2H3,(H2,29,31)
InChIKeyDDBSBUHPVXVQCE-UHFFFAOYSA-N
MW477.78 g/mol
LogP2.13
Rot. Bonds4

About CID 142562208

CID 142562208 (PubChem CID 142562208) has the molecular formula C19H15B3F6N4O2 and a molecular weight of 477.78 g/mol.

Molecular Properties

Compound NameCID 142562208
PubChem CID142562208
Molecular FormulaC19H15B3F6N4O2
Molecular Weight477.78 g/mol
Exact Mass478.14
IUPAC Name—
SMILES[B]C([B])([B])c1ccc(C(O)(C(C)(C)O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C19H15B3F6N4O2/c1-15(2,33)16(34,19(26,27)28)8-3-4-10(17(20,21)22)9(5-8)11-6-30-14-13(29)31-12(7-32(11)14)18(23,24)25/h3-7,33-34H,1-2H3,(H2,29,31)
InChIKeyDDBSBUHPVXVQCE-UHFFFAOYSA-N
XLogP2.13
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.78
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol
CID 138562415
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 138561369
3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide
CID 138562354
2-[3-[8-amino-6-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-(trideuteriomethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 138561909
2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 158650156
1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 138562277
2-[3-[8-amino-6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
CID 138619378
8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 138561869
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine
CID 146600515
2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 138619508
2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
CID 138619352
3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide
CID 146456826

Frequently Asked Questions

What is the IUPAC name of CID 142562208?
The IUPAC name of CID 142562208 (CID 142562208) is not available.
What is the SMILES notation for CID 142562208?
The canonical SMILES for CID 142562208 is [B]C([B])([B])c1ccc(C(O)(C(C)(C)O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of CID 142562208?
The InChIKey is DDBSBUHPVXVQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15B3F6N4O2/c1-15(2,33)16(34,19(26,27)28)8-3-4-10(17(20,21)22)9(5-8)11-6-30-14-13(29)31-12(7-32(11)14)18(23,24)25/h3-7,33-34H,1-2H3,(H2,29,31).
What are the key properties of CID 142562208?
CID 142562208 has a molecular weight of 477.78 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142562208 is sourced from PubChem (CID 142562208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).