8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide

C26H23FN6O2 — CID 151528995

IUPAC8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCCCO)cn34)cc12
InChIInChI=1S/C26H23FN6O2/c1-15-9-11-29-20-8-5-17(13-19(15)20)23-22(16-3-6-18(27)7-4-16)32-24(28)25-31-21(14-33(23)25)26(35)30-10-2-12-34/h3-9,11,13-14,34H,2,10,12H2,1H3,(H2,28,32)(H,30,35)
InChIKeyPWBPXEORFSQYND-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.75
Rot. Bonds6

About 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide

8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 151528995) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID151528995
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCCCO)cn34)cc12
InChIInChI=1S/C26H23FN6O2/c1-15-9-11-29-20-8-5-17(13-19(15)20)23-22(16-3-6-18(27)7-4-16)32-24(28)25-31-21(14-33(23)25)26(35)30-10-2-12-34/h3-9,11,13-14,34H,2,10,12H2,1H3,(H2,28,32)(H,30,35)
InChIKeyPWBPXEORFSQYND-UHFFFAOYSA-N
XLogP3.75
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 151528995) is 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide is Cc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCCCO)cn34)cc12.
What is the InChIKey of 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is PWBPXEORFSQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c1-15-9-11-29-20-8-5-17(13-19(15)20)23-22(16-3-6-18(27)7-4-16)32-24(28)25-31-21(14-33(23)25)26(35)30-10-2-12-34/h3-9,11,13-14,34H,2,10,12H2,1H3,(H2,28,32)(H,30,35).
What are the key properties of 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 151528995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).